| SpectraBase Spectrum ID |
G9Y28vjIObH |
| Name |
(Phenylthio)acetic acid, 1-adamantylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.149701185 u |
| Formula |
C19H24O2S |
| InChI |
InChI=1S/C19H24O2S/c20-18(12-22-17-4-2-1-3-5-17)21-13-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-13H2/t14-,15+,16-,19- |
| InChIKey |
OBBPJCYJLUECGQ-HGYGSNGRSA-N |
| Molecular Weight |
316.459 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])COC(CSC1=CC=CC=C1)=O |
