| SpectraBase Spectrum ID |
3Vk7u9bmJly |
| Name |
3-Hexenoic acid, 2-methyl-2-(phenylthio)-, methyl ester, (E)- |
| CAS Registry Number |
109542-09-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O2S |
| InChI |
InChI=1S/C14H18O2S/c1-4-5-11-14(2,13(15)16-3)17-12-9-7-6-8-10-12/h5-11H,4H2,1-3H3/b11-5+ |
| InChIKey |
XODBKLXJUBBIIJ-VZUCSPMQSA-N |
| Molecular Weight |
250.356 g/mol |
| SMILES |
C(C(=O)OC)(Sc1ccccc1)(\C=C\CC)C |
| SPLASH |
splash10-052f-0900000000-ff446d7ba4bc1b7866d3 |
| Source of Spectrum |
KC-1986-1952-16 |
| Synonyms |
(E)-Methyl 2-methyl-2-phenylthiohex-3-enoate
Methyl (3E)-2-methyl-2-(phenylsulfanyl)-3-hexenoate |
| Wiley ID |
1253227 |
