| SpectraBase Spectrum ID |
4fS81BN9ptC |
| Name |
4-Cyclohexene-1,2-dicarboxylic acid, 3-(1H-indol-3-yl)-5-methyl-, (1.alpha.,2.alpha.,3.alpha.)-(.+-.)- |
| CAS Registry Number |
131938-96-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17NO4 |
| InChI |
InChI=1S/C17H17NO4/c1-9-6-11(15(17(21)22)12(7-9)16(19)20)13-8-18-14-5-3-2-4-10(13)14/h2-6,8,11-12,15,18H,7H2,1H3,(H,19,20)(H,21,22)/t11-,12-,15+/m0/s1 |
| InChIKey |
IFTQZNFMCYPFEP-SLEUVZQESA-N |
| Molecular Weight |
299.326 g/mol |
| SMILES |
OC([C@]1(CC(=C[C@]([C@]1(C(=O)O)[H])(c1c[nH]c2c1cccc2)[H])C)[H])=O |
| SPLASH |
splash10-001i-0970000000-6969fe13132d6eed48fa |
| Source of Spectrum |
KC-1990-2493-26 |
| Synonyms |
(1RS,2SR,3SR)-3-(indol-3'-yl)-5-methylcyclohex-4-ene-1,2-dicarboxylic acid
(1S,2R,3R)-3-(1H-indol-3-yl)-5-methyl-4-cyclohexene-1,2-dicarboxylic acid |
| Wiley ID |
1302038 |
