| SpectraBase Spectrum ID |
BiiXdF5bnzi |
| Name |
2-Hexenoic acid, 2-methyl-5-(phenylthio)-, methyl ester, (E)- |
| Alternate Name(s) |
Methyl (2E)-2-methyl-5-(phenylsulfanyl)-2-hexenoate
Methyl 2-methyl-5-phenylthio-2-hexenoate |
| CAS Registry Number |
108733-39-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O2S |
| InChI |
InChI=1S/C14H18O2S/c1-11(14(15)16-3)9-10-12(2)17-13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3/b11-9+ |
| InChIKey |
SOIMQVGXKHNILL-PKNBQFBNSA-N |
| Molecular Weight |
250.356 g/mol |
| SMILES |
C(\C(=C\CC(Sc1ccccc1)C)C)(=O)OC |
| SPLASH |
splash10-000i-0900000000-ce43a164287f291bb5b9 |
| Source of Spectrum |
AJ-59-2477-8 |
| Wiley ID |
1253238 |
