| SpectraBase Spectrum ID |
GnPYioxfvwS |
| Name |
2-Benzylsulfanyl-4-nitro-N-(2-oxo-2-phenyl-ethyl)-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.098728238 u |
| Formula |
C22H18N2O4S |
| InChI |
InChI=1S/C22H18N2O4S/c25-20(17-9-5-2-6-10-17)14-23-22(26)19-12-11-18(24(27)28)13-21(19)29-15-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,26) |
| InChIKey |
BUZZJORMFZCCMW-UHFFFAOYSA-N |
| Molecular Weight |
406.456 g/mol |
| SMILES |
C1=CC=C(C=C1)CSC=1C(=CC=C(C1)N(=O)=O)C(NCC(C1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896217 |
