SpectraBase Spectrum ID |
HReKqXaJKmo |
Name |
Ethanone, 2-(acetyloxy)-2-[(4-methylphenyl)thio]-1-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
300.082015546 u |
Formula |
C17H16O3S |
InChI |
InChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21-17(20-12-11-18)16(19)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3 |
InChIKey |
AZMXCHFCCGKYQB-UHFFFAOYSA-N |
SMILES |
C(C(=O)C1=CC=CC=C1)(SC1=CC=C(C=C1)C)OCC=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939671 |