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zhu13liang

木虫 (小有名气)

[求助] 微谱查一简单结构,谢谢

碳谱数据为:
25.407,165.962,174.661
溶剂选项: 全部 CD3SOCD3
查询空值  
匹配容差: (数字格式,可自行设定)
相似度:  %(相似度>=80%)
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superspace

至尊木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
zhu13liang: 金币+15, ★★★★★最佳答案 2012-11-18 23:33:31
容差加大到2了,但是没有相似度在80%以上的呢!给你查询的结果是相似度在50%以上的匹配信息
查询结果:共查到14个化合物(查询结果仅供参考)

    1 .     2-(2,5-dioxopyrrolidin-1-yl)guanidine hydrochloride
    C5H9ClN4O2     相似度:66.6%
    Heterocycles          2010          81          2291-2311
    Rearrangement of 2-(2,5-Dioxopyrrolidin-1-yl)guanidine: An Efficient Synthesis and Structure of 3-(5-Amino-1H-1,2,4-triazol-3-yl)propanoic Acid and Derivatives
    Victor M. Chernyshev, Anna V. Chernysheva, and Zoya A. Starikova
    Structure      13C NMR   碳谱模拟图

    2 .     2-(2,5-dioxopyrrolidin-1-yl)guanidine hydrate
    C5H10N4O3     相似度:66.6%
    Heterocycles          2010          81          2291-2311
    Rearrangement of 2-(2,5-Dioxopyrrolidin-1-yl)guanidine: An Efficient Synthesis and Structure of 3-(5-Amino-1H-1,2,4-triazol-3-yl)propanoic Acid and Derivatives
    Victor M. Chernyshev, Anna V. Chernysheva, and Zoya A. Starikova
    Structure      13C NMR   碳谱模拟图

    3 .     acetamide
        相似度:66.6%
    Natural Product Research and Development          2009          21          441-444
    Chemical Constituents from Viscum coloratum(Kom.) Nakai and Their Antitumor Activities(Ⅰ)
    CHEN Bai-nian; LI Jian-kuan; YANG Guan-e; LI Qing-shan
    Structure      13C NMR   碳谱模拟图

    4 .     azelaic acid
        相似度:50%
    China Journal of Chinese Materia Medica          2006          31          814-816
    Studies on chemical constituents in root tuber of Cynanchum auriculatum
    ZHANG Jianfeng, LI Youbin, LI Chenglu, JIANG Jianqin
    Structure      13C NMR   碳谱模拟图

    5 .     suberic acid
        相似度:50%
    Acta Pharmaceutica Sinica          2007          Vol 42          858-861
    Isolation and structure identification of chemical constituents from the skin of Bufo bufo gargarizans
    DAI Li-ping; GAO Hui-min; WANG Zhi-min; WANG Wei-hao
    Structure      13C NMR   碳谱模拟图

    6 .     compound 15
    C6H9N5O     相似度:50%
    Journal of Heterocyclic Chemistry          2000          37          1041-1048
    Reactivity studies of ethyl(Z)-N-(2-amino-1,2-dicyanovinyl) formimidate with carbonyl compounds in the presence of base
    M. Joséalves, M. Alice Carvalho, M. Fernanda, J. R. P. Proença and Brian L. Booth
    Structure      13C NMR   碳谱模拟图

    7 .     (5Z)-(hydroxymethylene)-2-thioxoimidazolidin-4-one
        相似度:50%
    Heterocycles          2007          71          87-104
    Tri-and Tetracyclic Heteroaromatic Systems: Synthesis of Novel Benzo-, Benzothieno-and Thieno-Fused Pyrano[2, 3-c]pyrazol-4(1H)-ones
    Gernot A. Eller, Andreas W. Haring, Barbara Datterl, Maryam Zwettler, and Wolfgang Holzer
    Structure      13C NMR   碳谱模拟图

    8 .     5-amino-3-ethylthio-1,2,4-thiadiazole
    C4H7N3S2     相似度:50%
    Heterocycles          2003          60          1401-1409
    Oxidative Cyclization of Dithiobiuret under Basic Condition and Theoretical Tautomeric Studies of 5-Amino-2,3-dihydro-1,2,4-thiadiazole-3-thione
    Nam Sook Cho,* Young Hoon Kim, Mi Sun Park, Eun Hee Kim, Sung Kwon Kang, and Chang-moon Park
    Structure      13C NMR   碳谱模拟图

    9 .     azelaic acid
        相似度:50%
    Chinese Journal of Natural Medicines          2008          6          112-115
    Chemical Constituents of Alternanthera philoxeroides
    FAN Wen-Qian; XIONG Meng-Xiao; MA Zhuo; LI Qiong-Ya; LIU Yan-Wen
    Structure      13C NMR   碳谱模拟图

    10 .     sodium 3-methoxy-3-oxopropane-1-sulfinate
        相似度:50%
    Tetrahedron Letters          2002          43          8479-8483
    A mild, convenient synthesis of sulfinic acid salts and sulfonamides from alkyl and aryl halides
    Jeremy M Baskin, Zhaoyin Wang
    Structure      13C NMR   碳谱模拟图

    11 .     nonanedioic acid
        相似度:50%
    Journal of Shenyang Pharmaceutical University          2008          25          279-281
    Isolation and identification of constituents from Achyranthese bidentata Bl.
    MENG Da-li, ZHANG Yi, LI Ning, LIU Zhi-guo, LI Xian
    Structure      13C NMR   碳谱模拟图

    12 .     6-Methyl-N-morpholino-1,3,5-triazine-2,4-diamine
    C8H13N5O     相似度:50%
    Tetrahedron          2012          68          3856-3860
    High yielding microwave-assisted synthesis of tri-substituted 1,3,5-triazines using Pd-catalyzed aryl and heteroarylamination Original Research Article
    Pascal Dao, Christiane Garbay, Huixiong Chen
    Structure      13C NMR   碳谱模拟图

    13 .     2-mercapto-5-ethyl-1,3,4-thiadiazole
    C4H6N2S2     相似度:50%
    Bioorganic & Medicinal Chemistry          2009          17          5275-5284
    Synthesis, antioxidant properties and radioprotective effects of new benzothiazoles and thiadiazoles
    Damien Cressier, Caroline Prouillac, Pierre Hernandez, Christine Amourette, Michel Diserbo, Claude Lion, Ghassoub Rima
    Structure      13C NMR   碳谱模拟图

    14 .     2-[5-(ethyl)-1,3,4-thiadiazol-2-ylamino]ethanethiol hydrochloride
    C6H12ClN3S2     相似度:50%
    Bioorganic & Medicinal Chemistry          2009          17          5275-5284
    Synthesis, antioxidant properties and radioprotective effects of new benzothiazoles and thiadiazoles
    Damien Cressier, Caroline Prouillac, Pierre Hernandez, Christine Amourette, Michel Diserbo, Claude Lion, Ghassoub Rima
    Structure      13C NMR   碳谱模拟图
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