| SpectraBase Spectrum ID |
EQE5EDNZPnE |
| Name |
Methyl (1S,3aR,4S,5R,7aS)-1-ethyl-3a,4,5,7a-tetrahydro-5-[(phenylthio)methyl]-4-indancarboxylate |
| Alternate Name(s) |
Methyl (1S,3aR,4S,5R,7aS)-1-ethyl-5-[(phenylsulfanyl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylate |
| CAS Registry Number |
95532-30-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O2S |
| InChI |
InChI=1S/C20H26O2S/c1-3-14-9-12-18-17(14)11-10-15(19(18)20(21)22-2)13-23-16-7-5-4-6-8-16/h4-8,10-11,14-15,17-19H,3,9,12-13H2,1-2H3/t14-,15-,17+,18+,19+/m0/s1 |
| InChIKey |
LDKORLKKXJHEEJ-BHEBFOIGSA-N |
| Molecular Weight |
330.486 g/mol |
| SMILES |
[C@@]12([C@](C=C[C@]([C@]2(C(=O)OC)[H])(CSc2ccccc2)[H])([C@@](CC)(CC1)[H])[H])[H] |
| SPLASH |
splash10-00di-0901000000-5aca14bd836bce44ae73 |
| Source of Spectrum |
J-50-1454-4 |
| Wiley ID |
1328029 |
![Methyl (1S,3aR,4S,5R,7aS)-1-ethyl-3a,4,5,7a-tetrahydro-5-[(phenylthio)methyl]-4-indancarboxylate](/api/spectrum/EQE5EDNZPnE/structure.png?h=300&w=458 "Methyl (1S,3aR,4S,5R,7aS)-1-ethyl-3a,4,5,7a-tetrahydro-5-[(phenylthio)methyl]-4-indancarboxylate")
