| SpectraBase Spectrum ID |
3GnlG57JGw |
| Name |
(2-oxidanylidene-3-phenylsulfanyl-propyl) benzoate |
| Alternate Name(s) |
(2-oxo-3-phenylsulfanyl-propyl) benzoate
benzoic acid [2-oxo-3-(phenylthio)propyl] ester
(2-oxo-3-phenylsulfanylpropyl) benzoate |
| CAS Registry Number |
115413-22-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14O3S |
| InChI |
InChI=1S/C16H14O3S/c17-14(12-20-15-9-5-2-6-10-15)11-19-16(18)13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey |
YNOGNIBTSFMJAJ-UHFFFAOYSA-N |
| Molecular Weight |
286.345 g/mol |
| SMILES |
C(OCC(=O)CSc1ccccc1)(=O)c1ccccc1 |
| SPLASH |
splash10-000i-0090000000-e93359333cde8c2a857b |
| Source of Spectrum |
SO-0-898-4 |
| Wiley ID |
1539637 |
