求化合物微谱相关化合物：13C NMR (101 MHz, CDCl3) δ 168.81, 166.97, 145.23, 140.96, 138.77, 137.58, 134.87, 132.86, 131.04, 128.80, 128.34, 127.75, 127.20, 127.03, 127.00, 124.77, 124.14, 123.54, 123.23, 120.35, 115.25, 52.39.


额这位同学 是没用过微谱的吧？、


你是说是一个二聚体吗？

楼主可以参考我附图的结构，你的化合物应该是这类结构，碳肯定有重叠的，按说更应该是以苷的形式出现而不是苷元啊

二蒽酮



我觉得我解出来了，

支链是两个羧基



碳谱位移



模拟的碳谱，基本吻合



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
52.39,115.25,120.35,123.23,123.54,124.14,124.77,127.00,127.03,127.20,127.75,128.34,128.80,131.04,132.86,134.87,137.58,138.77,140.96,145.23,166.97,168.81
溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值
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4459个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------

1 . N-(2-Carbomethoxyphenyl)-2-chloro-3-(naphthalen-2-yl)-but-2(Z)-enamide
相似度:81.8%
Bioorganic & Medicinal Chemistry Letters 2003 13 1-4
Inhibition of Telomerase by BIBR 1532 and Related Analogues
D. K. Barma, Anissa Elayadi, J. R. Falck and David R. Corey
Structure 13C NMR 碳谱模拟图

--------------------------------------------------------------------------------

2 . (±)-N-[4-(Aminosulfonyl)-2-methylphenyl]-2-{4-chloro-2-[hydroxyl(3,4-dichlorophenyl)methyl]phenoxyl}acetamide
C22H19Cl3N2O5S 相似度:72.7%
Bioorganic & Medicinal Chemistry 2011 19 4704-4709
Synthesis and biological evaluation of (±)-benzhydrol derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors
Xiao-Dong Ma, Xuan Zhang, Shi-Qiong Yang, Hui-Fang Dai, Liu-Meng Yang, Shuang-Xi Gu, Yong-Tang Zheng, Qiu-Qin He, Fen-Er Chen
Structure 13C NMR 碳谱模拟图

--------------------------------------------------------------------------------

3 . 11b,12-dihydro-5,11b-thioepoxy[2',1']-naphthaleno-5H-isoindolo[2,1-b]isoquinolin-7-one
C26H16NOS 相似度:72.7%
Organic letters 2000 2 1201-1204
Formation of New 5,11b-Bridged Isoindolo[2,1-b]isoquinolinones Alkaloids through a Tandem Pummerer/π-Cationic Cyclization
Nicolas Hucher, Adam Daich, and Bernard Decroix
Structure 13C NMR 碳谱模拟图

--------------------------------------------------------------------------------

4 . N-[2-(4-phenyl-1H-imidazol-2-yl)phenyl]benzamide
C22H17N3O 相似度:72.7%
Heterocycles 2007 71 269-280
The Study of Cyclization of N-Acylphenacyl Anthranilates with Ammonium Salts under Various Conditions
Pavel Hradil, Martin Grepl, Jan Hlavac, and Antonin Lycka
Structure 13C NMR 碳谱模拟图

--------------------------------------------------------------------------------

5 . (E)-3-Phenyl-2-propenal 1-(benzothiophen-7-ylmethyl)-1-methyl-hydrazone
C19H18N2S 相似度:72.7%
Pharmazie 2000 55 483-489
L. Auzzas - M. Palomba - G. Boatta - P. Manconi - A. Pau - A. Becciu - R. Cerri - V. Tullio - J. Roana - N. Carlone
Antidermatophytic action of new 1-naphthylmethyl and benzothiophen-7-ylmethyl hydrazones related to inhibitors of squalene epoxidase
Structure 13C NMR 碳谱模拟图

--------------------------------------------------------------------------------

6 . compound (p,p,s)-2
C22H20O6 相似度:72.7%
Tetrahedron Letters 2003 44 3683-3686
Synthesis of optically active bihelicenols
Daisuke Nakano, Rie Hirano, Masahiko Yamaguchi, Chizuko Kabuto
Structure 13C NMR 碳谱模拟图

--------------------------------------------------------------------------------

7 . 1,3-bis(4-chlorophenyl)-9H-thioxanthen-9-one
C25H13Cl2OS 相似度:72.7%
Tetrahedron 2012 68 711-721
Suzuki–Miyaura reactions of the bis(triflates) of 1,3- and 1,4-dihydroxythioxanthone. Electronic and steric effects on the site-selectivity
Dhafer Saber Zinad, Holger Feist, Alexander Villinger, Peter Langer
Structure 13C NMR 碳谱模拟图

--------------------------------------------------------------------------------

8 . 1-anilino-2,3,10-trimethoxycarbonyl-4-methylbenz[a]azulene
C27H23NO6 相似度:72%
Heterocycles 2001 54 647-665
New Synthetic Approach to Azuleno[1,2-c]pyrroles and Conversion to Benz[a]azulenes
Dao-Lin Wang and Kimiaki Imafuku
Structure 13C NMR 碳谱模拟图  6    1 2 3 4 5 6 下一页 尾页