| SpectraBase Spectrum ID |
4GGthuQGIia |
| Name |
(1S,3aR,4S,5R,7aS)-1-ethyl-3a,4,5,7a-tetrahydro-5-[(phenylthio)methyl]-4-indancarboxylic acid |
| Alternate Name(s) |
(1S,3aR,4S,5R,7aS)-1-ethyl-5-[(phenylsulfanyl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid |
| CAS Registry Number |
95671-28-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24O2S |
| InChI |
InChI=1S/C19H24O2S/c1-2-13-8-11-17-16(13)10-9-14(18(17)19(20)21)12-22-15-6-4-3-5-7-15/h3-7,9-10,13-14,16-18H,2,8,11-12H2,1H3,(H,20,21)/t13-,14-,16+,17+,18+/m0/s1 |
| InChIKey |
HPNWMTSYVBLCEI-WSWKGWCUSA-N |
| Molecular Weight |
316.459 g/mol |
| SMILES |
OC([C@]1([C@]2([C@](C=C[C@]1(CSc1ccccc1)[H])([C@@](CC)(CC2)[H])[H])[H])[H])=O |
| SPLASH |
splash10-00di-0900000000-6a7472e4f3fb2512c58a |
| Source of Spectrum |
J-50-1454-4 |
| Wiley ID |
1316893 |
![(1S,3aR,4S,5R,7aS)-1-ethyl-3a,4,5,7a-tetrahydro-5-[(phenylthio)methyl]-4-indancarboxylic acid](/api/spectrum/4GGthuQGIia/structure.png?h=300&w=458 "(1S,3aR,4S,5R,7aS)-1-ethyl-3a,4,5,7a-tetrahydro-5-[(phenylthio)methyl]-4-indancarboxylic acid")
