| SpectraBase Spectrum ID |
5e6zopvXpsc |
| Name |
Methyl 2-benzyl-4-(methylsulfanyl)-3-butenoate |
| Alternate Name(s) |
methyl (3E)-2-benzyl-4-(methylsulfanyl)-3-butenoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O2S |
| InChI |
InChI=1S/C13H16O2S/c1-15-13(14)12(8-9-16-2)10-11-6-4-3-5-7-11/h3-9,12H,10H2,1-2H3/b9-8+ |
| InChIKey |
CRMXWUXJNMTNOI-CMDGGOBGSA-N |
| Molecular Weight |
236.329 g/mol |
| SMILES |
C(C(\C=C\SC)Cc1ccccc1)(=O)OC |
| SPLASH |
splash10-0050-0990000000-f728e240a52d76059bbe |
| Source of Spectrum |
F9-1985-2531-0 |
| Wiley ID |
1565629 |
