| SpectraBase Spectrum ID |
9TG1ChTUlSi |
| Name |
Ethyl 3-(4-(methylthio)phenyl)adamantane-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O2S |
| InChI |
InChI=1S/C20H26O2S/c1-3-22-18(21)20-11-14-8-15(12-20)10-19(9-14,13-20)16-4-6-17(23-2)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3/t14-,15+,19+,20- |
| InChIKey |
RPDXUXGRHMCLGQ-FYXYJPLOSA-N |
| Molecular Weight |
330.486 g/mol |
| SMILES |
C1[C@@]2(C[C@]3(c4ccc(cc4)SC)C[C@]1(C[C@@](C2)(C(OCC)=O)C3)[H])[H] |
| SPLASH |
splash10-001i-0129000000-e039969ec9cfb038fe31 |
| Source of Spectrum |
A1-16-2418/SMS20-5a |
| Synonyms |
(1s,3r,5R,7S)-ethyl 3-(4-(methylthio)phenyl)adamantane-1-carboxylate |
| Wiley ID |
1749434 |
