| SpectraBase Spectrum ID |
7xLpuSVzfb8 |
| Name |
Benzeneethanethioic acid, .alpha.-(acetyloxy)-, S-(4-methylphenyl) ester |
| CAS Registry Number |
54755-88-3 |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 1302862 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O3S |
| InChI |
InChI=1S/C17H16O3S/c1-12-8-10-15(11-9-12)21-17(19)16(20-13(2)18)14-6-4-3-5-7-14/h3-11,16H,1-2H3 |
| InChIKey |
XUSQXWIRXUVPAS-UHFFFAOYSA-N |
| Molecular Weight |
300.372 g/mol |
| SMILES |
C(C(OC(=O)C)c1ccccc1)(Sc1ccc(cc1)C)=O |
| SPLASH |
splash10-0a4l-4900000000-c721957ff82892215984 |
| Source of Spectrum |
C-97-598-0 |
| Synonyms |
2-[(4-methylphenyl)sulfanyl]-2-oxo-1-phenylethyl acetate
S-(p-tolyl)-2-acetoxy-2-phenylthioacetate |
| Wiley ID |
1821015 |
