| SpectraBase Spectrum ID |
5slDRcoV2c6 |
| Name |
2-Benzoyl-3,3-bis(methylthio)-2-propenal |
| Alternate Name(s) |
2-benzoyl-3,3-bis(methylsulfanyl)prop-2-enal
3,3-bis(methylsulfanyl)-2-(phenylcarbonyl)prop-2-enal |
| CAS Registry Number |
134129-19-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O2S2 |
| InChI |
InChI=1S/C12H12O2S2/c1-15-12(16-2)10(8-13)11(14)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey |
VQMMMSRTARMHJX-UHFFFAOYSA-N |
| Molecular Weight |
252.346 g/mol |
| SMILES |
C(C(=O)c1ccccc1)(=C(SC)SC)C=O |
| SPLASH |
splash10-0a4i-0900000000-93ceabd9e112f69e11dc |
| Source of Spectrum |
U-1992-389-3 |
| Wiley ID |
764224 |
