| SpectraBase Spectrum ID |
B0mvdZH2aEi |
| Name |
4-Cyclohexene-1,2-dicarboxylic acid, 3-(1H-indol-3-yl)-5-methyl-, 1-methyl ester, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)- |
| CAS Registry Number |
131938-97-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-10-7-12(14-9-19-15-6-4-3-5-11(14)15)16(17(20)21)13(8-10)18(22)23-2/h3-7,9,12-13,16,19H,8H2,1-2H3,(H,20,21)/t12-,13-,16+/m0/s1 |
| InChIKey |
YEAQFIBNTBKEMN-HEHGZKQESA-N |
| Molecular Weight |
313.353 g/mol |
| SMILES |
OC([C@@]1([C@](c2c[nH]c3c2cccc3)(C=C(C[C@@]1(C(=O)OC)[H])C)[H])[H])=O |
| SPLASH |
splash10-03yi-0946000000-1ecbdf919890753f5520 |
| Source of Spectrum |
KC-1990-2494-30 |
| Synonyms |
(1R,2R,6S)-2-(1H-indol-3-yl)-6-(methoxycarbonyl)-4-methyl-3-cyclohexene-1-carboxylic acid
(1RS,2SR,3SR)-1-methyl hydrogen 3-(indol-3'-yl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylate
(1RS,2SR,3SR)-2-methyl hydrogen 3-(indol-3'-yl)-5-methyl-cyclohex-4-ene-1,2-dicarboxylate |
| Wiley ID |
1314310 |
