| SpectraBase Spectrum ID |
CGUJv2cVg7D |
| Name |
Methyl ester of (e)-2-[(phenylthio)methylene]-4-pentenoic acid |
| Alternate Name(s) |
methyl (2E)-2-[(phenylsulfanyl)methylene]-4-pentenoate |
| CAS Registry Number |
82937-12-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O2S |
| InChI |
InChI=1S/C13H14O2S/c1-3-7-11(13(14)15-2)10-16-12-8-5-4-6-9-12/h3-6,8-10H,1,7H2,2H3/b11-10+ |
| InChIKey |
XCCBYTBETDGNLB-ZHACJKMWSA-N |
| Molecular Weight |
234.313 g/mol |
| SMILES |
C(\C(=C\Sc1ccccc1)CC=C)(=O)OC |
| SPLASH |
splash10-003r-0490000000-67af5dea8579b96dd6f7 |
| Source of Spectrum |
J-49-1988-0 |
| Wiley ID |
1235841 |
![Methyl ester of (e)-2-[(phenylthio)methylene]-4-pentenoic acid](/api/spectrum/CGUJv2cVg7D/structure.png?h=300&w=458 "Methyl ester of (e)-2-[(phenylthio)methylene]-4-pentenoic acid")
