| SpectraBase Spectrum ID |
5hrfQaqqzEZ |
| Name |
Acetic acid, [(1-methyl-2-oxo-3-phenylpropyl)thio]-, methyl ester |
| Alternate Name(s) |
3-Methoxycarbonylmethylthio-1-phenyl-2-butanone
Methyl[(1-methyl-2-oxo-3-phenylpropyl)sulfanyl]acetate |
| CAS Registry Number |
95110-64-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3S |
| InChI |
InChI=1S/C13H16O3S/c1-10(17-9-13(15)16-2)12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
SIHRHTLYQCMBDA-UHFFFAOYSA-N |
| Molecular Weight |
252.328 g/mol |
| SMILES |
C(Cc1ccccc1)(=O)C(SCC(=O)OC)C |
| SPLASH |
splash10-000x-9720000000-c2f15041d7d74c3e6114 |
| Source of Spectrum |
AJ-58-2854-5 |
| Wiley ID |
1255321 |
![Acetic acid, [(1-methyl-2-oxo-3-phenylpropyl)thio]-, methyl ester](/api/spectrum/5hrfQaqqzEZ/structure.png?h=300&w=458 "Acetic acid, [(1-methyl-2-oxo-3-phenylpropyl)thio]-, methyl ester")
