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haoyumomo

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14.57,47,49.7,70.1,132.6,138.4,151.9
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wangkaibo123

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kerry

优秀版主

【答案】应助回帖

感谢参与,应助指数 +1
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到22个化合物(查询结果仅供参考)
1 .     tinidazole
    相似度:75%
Magnetic Resonance in Chemistry          2005          43          139-146
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers
Teodorico C. Ramalho and Michael Bühl
Structure      13C NMR   碳谱模拟图
2 .     N-[2-(2-methyl-5-nitro-1H-imidazolyl)ethyl]-3-(2-nitro-1H-imidazolyl)propanesu]fonamide
C9H15ClN4O4S     相似度:75%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
3 .     2-(2-methyl-5-nitro-1H-imidazolyl)ethyl bromide
    相似度:71.4%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
4 .     1-(2-Bromoethyl)-2-methyl-5-nitro-1-imidazole
    相似度:57.1%
Molecules          2009          14          1483-1494
Synthesis of Novel Hybrid Molecules from Precursors With Known Antiparasitic Activity
Haythem A. Saadeh, Ibrahim M. Mosleh and Mohammad S. Mubarak
Structure      13C NMR   碳谱模拟图
5 .     N,N'-diisopropyl-2,6-bis(aminomethyl)pyridinium bromide
C13H25N3Br2     相似度:57.1%
Journal of Heterocyclic Chemistry          2006          43          549-557
Facile preparation and the crystal structure of N,N'-dialkyl-2,6-pyridinedimethanaminium halide
Tohru Kobayashi,Tsuyoshi Yaita,Yumi Sugo,Hiroki Suda,Shinji Suzuki,Yuki Fujii and Yoshiharu Nakano
Structure      13C NMR   碳谱模拟图
6 .     metronidazole
    相似度:57.1%
Magnetic Resonance in Chemistry          2005          43          139-146
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers
Teodorico C. Ramalho and Michael Bühl
Structure      13C NMR   碳谱模拟图
7 .     secnidazole
    相似度:57.1%
Magnetic Resonance in Chemistry          2005          43          139-146
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers
Teodorico C. Ramalho and Michael Bühl
Structure      13C NMR   碳谱模拟图
8 .     2-(2-methyl-5-nitro-1H-imidazolyl)ethyl iodide
C6H8IN3O2     相似度:57.1%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
9 .     N-methyl-2-(2-methyl-5-nitro-1H-imidazolyl)ethylamine
C7H10Cl2N4O2     相似度:57.1%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
10 .     1,2-dimethyl-1H-phosphole
    相似度:57.1%
Organic Magnetic Resonance          1973          5          161-162
Position specificity of 13C31P coupling constants for methyl substituents in phospholes and 2—Phospholenes
L. D. Quin, S. G. Borleske and R. C. Stocks
Structure      13C NMR   碳谱模拟图
11 .     1-(3-nitro-1,2,4-1H-triazolyl)-3-(2-methyl-5-nitro-1H-imidazolyl)propan-2-ol
C9H11N7O5     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
12 .     N-[2-(2-methyl-5-nitro-1H-imidazolyl)ethyl]-3-propanesultam
C9H14N4O4S     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
13 .     N-[2-(2-methyl-5-nitroimidazol-1H-yl)-ethyl]-N-methyltrifluoroacetamide
C9H11F3N4O3     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
14 .     compound 11
C8H14O     相似度:50%
Tetrahedron Letters          2003          44          7541-7544
Formation of (E) 1-alkoxy-1,3-butadienes from corresponding propargyl ethers; vicarious nucleophilic substitution in alkoxyallenes
Robert Łysek, Ewa Woźny, Tong Thanh Danh, Marek Chmielewski
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2013-12-12 22:04:39
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
haoyumomo: 金币+10 2013-12-13 10:56:39
查询结果:共查到22个化合物(查询结果仅供参考)
1 .     tinidazole
    相似度:75%
Magnetic Resonance in Chemistry          2005          43          139-146
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers
Teodorico C. Ramalho and Michael Bühl
Structure      13C NMR   碳谱模拟图
2 .     N-[2-(2-methyl-5-nitro-1H-imidazolyl)ethyl]-3-(2-nitro-1H-imidazolyl)propanesu]fonamide
C9H15ClN4O4S     相似度:75%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
3 .     2-(2-methyl-5-nitro-1H-imidazolyl)ethyl bromide
    相似度:71.4%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
4 .     1-(2-Bromoethyl)-2-methyl-5-nitro-1-imidazole
    相似度:57.1%
Molecules          2009          14          1483-1494
Synthesis of Novel Hybrid Molecules from Precursors With Known Antiparasitic Activity
Haythem A. Saadeh, Ibrahim M. Mosleh and Mohammad S. Mubarak
Structure      13C NMR   碳谱模拟图
5 .     N,N'-diisopropyl-2,6-bis(aminomethyl)pyridinium bromide
C13H25N3Br2     相似度:57.1%
Journal of Heterocyclic Chemistry          2006          43          549-557
Facile preparation and the crystal structure of N,N'-dialkyl-2,6-pyridinedimethanaminium halide
Tohru Kobayashi,Tsuyoshi Yaita,Yumi Sugo,Hiroki Suda,Shinji Suzuki,Yuki Fujii and Yoshiharu Nakano
Structure      13C NMR   碳谱模拟图
6 .     metronidazole
    相似度:57.1%
Magnetic Resonance in Chemistry          2005          43          139-146
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers
Teodorico C. Ramalho and Michael Bühl
Structure      13C NMR   碳谱模拟图
7 .     secnidazole
    相似度:57.1%
Magnetic Resonance in Chemistry          2005          43          139-146
Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers
Teodorico C. Ramalho and Michael Bühl
Structure      13C NMR   碳谱模拟图
8 .     2-(2-methyl-5-nitro-1H-imidazolyl)ethyl iodide
C6H8IN3O2     相似度:57.1%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
9 .     N-methyl-2-(2-methyl-5-nitro-1H-imidazolyl)ethylamine
C7H10Cl2N4O2     相似度:57.1%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
10 .     1,2-dimethyl-1H-phosphole
    相似度:57.1%
Organic Magnetic Resonance          1973          5          161-162
Position specificity of 13C31P coupling constants for methyl substituents in phospholes and 2—Phospholenes
L. D. Quin, S. G. Borleske and R. C. Stocks
Structure      13C NMR   碳谱模拟图
11 .     1-(3-nitro-1,2,4-1H-triazolyl)-3-(2-methyl-5-nitro-1H-imidazolyl)propan-2-ol
C9H11N7O5     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
12 .     N-[2-(2-methyl-5-nitro-1H-imidazolyl)ethyl]-3-propanesultam
C9H14N4O4S     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
13 .     N-[2-(2-methyl-5-nitroimidazol-1H-yl)-ethyl]-N-methyltrifluoroacetamide
C9H11F3N4O3     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
14 .     compound 11
C8H14O     相似度:50%
Tetrahedron Letters          2003          44          7541-7544
Formation of (E) 1-alkoxy-1,3-butadienes from corresponding propargyl ethers; vicarious nucleophilic substitution in alkoxyallenes
Robert Łysek, Ewa Woźny, Tong Thanh Danh, Marek Chmielewski
Structure      13C NMR   碳谱模拟图
15 .     (±)-methyl 2-hydroxy-2-azabicyclo[2.2.1]hept-5-ene-3-exo-carboxylate
C8H11NO3     相似度:50%
Tetrahedron          2012          68          1682-1687
1,3- versus 1,4-[π4+π2] Cycloadditions between methyl glyoxylate oxime and cyclopentadiene or cyclopentene
Carlos A.D. Sousa, M. Luísa C. Vale, Xerardo Garcia-Mera, José E. Rodríguez-Borges
Structure      13C NMR   碳谱模拟图
16 .     N-methyl-1-[1-(2-(2-methyl-5-nitro-1H-imidazole-1-yl)ethyl)-1H-1,2,3-triazole-4-yl]methylamine
    相似度:50%
Bioorganic & Medicinal Chemistry          2012          20          4040-4048
Influence of ligand denticity on the properties of novel 99mTc(I)–carbonyl complexes. Application to the development of radiopharmaceuticals for imaging hypoxic tissue
Soledad Fernández, Javier Giglio, Ana M. Rey, Hugo Cerecetto
Structure      13C NMR   碳谱模拟图
17 .     O-ethyl 2-thenoylthiocarbamate
C8H9NO2S2     相似度:50%
Tetrahedron          2012          68          9384-9390
Three practical approaches for the synthesis of novel 4,7-dihetarylpyrazolo[1,5-a][1,3,5]triazines
Henry Insuasty, Braulio Insuasty, Edison Castro, Jairo Quiroga, Rodrigo Abonía, Manuel Nogueras, Justo Cobo
Structure      13C NMR   碳谱模拟图
18 .     1-(2-nitro-1H-imidazolyl)-3-(2-methyl-5-nitro-1H-imidazolyl)propan-2-ol
C10H12N6O5     相似度:50%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
19 .     N-[2-(2-methyl-5-nitro-1H-imidazolyl)ethyl]trifluoroacetamide
C8H9F3N4O3     相似度:50%
Journal of Medicinal Chemistry          1995          38          1928-1941
Hypoxia-Selective Antitumor Agents. 10. Bis(nitroimidazoles) and Related Bis(nitroheterocycles): Development of Derivatives with Higher Rates of Metabolic Activation under Hypoxia and Improved Aqueous Solubility
Michael P. Hay, Ho H. Lee, William R. Wilson, Peter B. Roberts, William A. Denny
Structure      13C NMR   碳谱模拟图
20 .     5-ethyl-4-methyl-3-hydroxypyridine
C8H11NO     相似度:50%
Chemical Research in Toxicology          2003          16          232-241
Model Studies on the Modification of Proteins by Lipoxidation-Derived 2-Hydroxyaldehydes
Zhongfa Liu and Lawrence M. Sayre
Structure      13C NMR   碳谱模拟图
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