| SpectraBase Spectrum ID |
6rrF3EcIDjr |
| Name |
2-Butenoic acid, 4-(benzoylthio)-, methyl ester, (E)- |
| CAS Registry Number |
117157-18-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O3S |
| InChI |
InChI=1S/C12H12O3S/c1-15-11(13)8-5-9-16-12(14)10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+ |
| InChIKey |
DNEFBJWCCMLLFN-VMPITWQZSA-N |
| Molecular Weight |
236.285 g/mol |
| SMILES |
C(=O)(c1ccccc1)SC\C=C\C(=O)OC |
| SPLASH |
splash10-0a4i-0900000000-2fe426b298222c37b7e6 |
| Source of Spectrum |
KC-1988-580-5 |
| Synonyms |
Methyl (2E)-4-(benzoylsulfanyl)-2-butenoate
Methyl (E)-4-thiobenzoylbut-2-enoate |
| Wiley ID |
1237785 |
