| SpectraBase Spectrum ID |
IY6yPa6C70h |
| Name |
3-Pentenoic acid, 2-methyl-2-(phenylthio)-, methyl ester, (E)- |
| Alternate Name(s) |
(E)-Methyl 2-methyl-2-phenylthiopent-3-enoate
Methyl (3E)-2-methyl-2-(phenylsulfanyl)-3-pentenoate |
| CAS Registry Number |
86895-81-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O2S |
| InChI |
InChI=1S/C13H16O2S/c1-4-10-13(2,12(14)15-3)16-11-8-6-5-7-9-11/h4-10H,1-3H3/b10-4+ |
| InChIKey |
DWOXMIDMERMWRU-ONNFQVAWSA-N |
| Molecular Weight |
236.329 g/mol |
| SMILES |
C(C(=O)OC)(Sc1ccccc1)(\C=C\C)C |
| SPLASH |
splash10-004i-2930000000-0fe80d48438c453228e2 |
| Source of Spectrum |
KC-1986-1953-16 |
| Wiley ID |
1237982 |
