| SpectraBase Spectrum ID |
8XG3cVdUiOx |
| Name |
(2-Nitro-1,1-diphenyl-ethyl-sulfanyl)-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.097999963 u |
| Formula |
C20H17NO2S |
| InChI |
InChI=1S/C20H17NO2S/c22-21(23)16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)24-19-14-8-3-9-15-19/h1-15H,16H2 |
| InChIKey |
WLDKFWSEFMCUFT-UHFFFAOYSA-N |
| Molecular Weight |
335.421 g/mol |
| SMILES |
C(CN(=O)=O)(SC=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946358 |
