| SpectraBase Spectrum ID |
7rJFEE177ql |
| Name |
1-(4-(Benzylthio)phenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.076536244 u |
| Formula |
C15H14OS |
| InChI |
InChI=1S/C15H14OS/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey |
DDEHZHHUIYWAIA-UHFFFAOYSA-N |
| Molecular Weight |
242.336 g/mol |
| SMILES |
C1=CC(=CC=C1)CSC1=CC=C(C=C1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93739 |