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突突雯雯

金虫 (小有名气)

[求助] 20金币求微谱查询一组碳谱数据

碳谱数据如下:34.2,43.8,54.1,56.8,56.9,60.5,73.6,84.2,104.3,107.0,149.3,149.4
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
突突雯雯: 金币+20, ★★★很有帮助 2013-06-11 16:45:57
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15个化合物(查询结果仅供参考)
1 .     (7S,8R,8'R)-5,5'-dimethoxylariciresinol
    相似度:83.3%
Phytochemistry          1988          27          1835-1841
Flavonoid and other constituents of Bauhinia manca
Hans Achenbach,Markus Stöcker,Manuel A. Constenla
Structure      13C NMR   碳谱模拟图
2 .     tripterygiol
C22H28O8     相似度:73.3%
Archives of Pharmacal Research          2012          35          1739-1747
Phenylpropanoids and Lignanoids from Euonymus acanthocarpus
Jia Xian Zhu, Jie Ren, Jiang Jiang Qin, Xiang Rong Cheng, Qi Zeng, Fei Zhang, Shi Kai Yan, Hui Zi Jin,and Wei Dong Zhang,
Structure      13C NMR   碳谱模拟图
3 .     tripterygiol
    相似度:71.4%
Chinese Traditional and Herbal Drugs          2012          43          1057-1060
Chemical constituents of Acanthopanax senticosus and their free radical scavenging activities
ZHANG Tao; PIAO Jun-hong; YUAN Lei; LI Xi-feng;
Structure      13C NMR   碳谱模拟图
4 .     Cassumunol G
C12H16O4     相似度:58.3%
Chemical & Pharmaceutical Bulletin          2011          59(3)          365-370
Invasion Inhibitors of Human Fibrosarcoma HT 1080 Cells from the Rhizomes of Zingiber cassumunar: Structures of Phenylbutanoids, Cassumunols
Hisashi MATSUDA, Seikou NAKAMURA, Junko IWAMI, Xuezheng LI, Yutana PONGPIRIYADACHA,Megumi NAKAI, Miwa KUBO, Yoshiyasu FUKUYAMA, and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图
5 .     ethyl 5-(1,3-dithian-2-yl0-2-furylacetate
C12H16O3S2     相似度:58.3%
Heterocycles          2000          52          1279-1295
A Facile Synthesis of 5-Substituted 2-Furyl-, 2-Thienyl- and 2-Pyrrolylacetates by Cyclodehydration of γ-Functionalized α,β-Unsaturated Ketones
Tomikazu Kawano, Toru Ogawa, Saiful Md. Islam, and Ikuo Ueda*
Structure      13C NMR   碳谱模拟图
6 .     4-hydroxymethyl-8-methoxymethyl-6-methyl-4,5-dihydro-pyrimido[1,6-c][1,3]oxazepine-7,9-dione
C12H18N2O5     相似度:58.3%
molecules          2011          16          5113-5129
Methoxymethyl (MOM) Group Nitrogen Protection of Pyrimidines Bearing C-6 Acyclic Side-Chains
Tatjana Gazivoda Kraljević, Martina Petrović, Svjetlana Krištafor, Damjan Makuc, Janez Plavec, Tobias L. Ross, Simon M. Ametamey and Silvana Raić-Malić
Structure      13C NMR   碳谱模拟图
7 .     刺五加酮
    相似度:58.3%
China Journal of Chinese Materia Medica          2012          37          2092-2099
Non-anthraquinones constituents from the roots of Knoxia valerianoides
ZHAO Feng; WANG Sujuan; WU Xiuli; YU Yang; YUE Zhenggang; LIU Bo; LIN Sheng; ZHU Chenggen; YANG Yongchun; SHI Jiangong
Structure      13C NMR   碳谱模拟图
8 .     (+)-(8S,8'S)-bis-Dihydrosiringenin
C22H30O8     相似度:50%
Molecules          2008          13          1923-1930
A New 3-Benzylchroman Derivative from Sappan Lignum (Caesalpinia sappan)
Lin-chun Fu, Xin-an Huang, Zhen-yuan Lai, Ying-jie Hu, Hong-jiao Liu and Xiao-ling Cai
Structure      13C NMR   碳谱模拟图
9 .     2-(3,4,5-Trimethoxyphemyl)thiazolime
C12H15NO3S     相似度:50%
Journal of Heterocyclic Chemistry          2007          44          407-409
Synthesis of thiazolines by the reaction of aryl ketonitriles with cysteamine via microwave irradiation
Sukanta Kamila and Edward R. Biehl
Structure      13C NMR   碳谱模拟图
10 .     2-diethylamino-5,8-dimethoxy-4H-1,3-benzoselenazine
C14H20N2O2Se     相似度:50%
Heterocycles          2004          63          1067-1075
KF-Alumina Immobilized in Ionic Liquids: A Novel Heterogeneous Base for Heterocyclization of Alkylsulfanylphenylamines into 1,4-Benzothiazine
Bhupender S. Chhikara, Anil K. Mishra, and Vibha Tandon*
Structure      13C NMR   碳谱模拟图
11 .     (7S,8R,8'R)-5,5'-Dimethoxylariciresinol
    相似度:50%
Archives of Pharmacal Research          2007          30          1067-1074
Lignan and terpene constituents from the aerial parts of saussurea pulchella
Sang Un Choi, Min Cheol Yang, Kyu Ha Lee, Ki Hyun Kim and Kang Ro Lee
Structure      13C NMR   碳谱模拟图
12 .     2-iodo-9-methyl-4-oxa tricyclo[4.2.1.03,7]nonane
    相似度:50%
Tetrahedron Letters          2001          42          4923-4924
Iodolactonization and iodoetherification of β,γ-unsaturated acids and alcohols using FeCl3 and NaI
Subhash P Chavan, Anil K Sharma
Structure      13C NMR   碳谱模拟图
13 .     ciwujiatone
C22H26O9     相似度:50%
Journal of Anhui Agricultural Sciences          2012          40          7089-7090
Study on Chemical Constituents of the Ancient Ephedra Species Found in Yanghai,Xinjiang
MA Qing-yun et al
Structure      13C NMR   碳谱模拟图
14 .     5,6-dimethoxy-1-oxo-indan-2-carboxylic acid ethyl ester
    相似度:50%
Bioorganic & Medicinal Chemistry          2013          21          676-683
Design, synthesis and evaluation of novel heterodimers of donepezil and huperzine fragments as acetylcholinesterase inhibitors
Yueqing Hu, Jun Zhang, Oormila Chandrashankra, Fanny C.F. Ip, Nancy Y. Ip
Structure      13C NMR   碳谱模拟图
15 .     compound 3
    相似度:50%
Australian Journal of Chemistry          1987          40          1913-1917
he Chemistry of Eremophila Spp. XXIX. The Absolute Configuration of (+)-Syringaresinol Dimethyl Ether
IR Bytheway, EL Ghisalberti, S Gotsis, PR Jefferies, BW Skelton, KE Sugars and AH White
Structure      13C NMR   碳谱模拟图
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2楼2013-06-11 14:39:00
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