| SpectraBase Spectrum ID |
FdIawdp7xhg |
| Name |
3-(Phenylthiomethyl)pent-3-enoic acid |
| CAS Registry Number |
108378-65-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O2S |
| InChI |
InChI=1S/C12H14O2S/c1-2-10(8-12(13)14)9-15-11-6-4-3-5-7-11/h2-7H,8-9H2,1H3,(H,13,14)/b10-2+ |
| InChIKey |
HKPDJYOKIJVIGU-WTDSWWLTSA-N |
| Molecular Weight |
222.302 g/mol |
| SMILES |
OC(=O)C\C(=C/C)CSc1ccccc1 |
| SPLASH |
splash10-03k9-2960000000-1b771498684d6792861d |
| Source of Spectrum |
KC-1986-1704-66 |
| Synonyms |
(3E)-3-[(phenylsulfanyl)methyl]-3-pentenoic acid |
| Wiley ID |
1222140 |
