| SpectraBase Spectrum ID |
7n4LqH6Juh9 |
| Name |
3-Benzylthio-4,4'-dinitrodiphenyl sulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.039499283 u |
| Formula |
C19H14N2O4S2 |
| InChI |
InChI=1S/C19H14N2O4S2/c22-20(23)15-6-8-16(9-7-15)27-17-10-11-18(21(24)25)19(12-17)26-13-14-4-2-1-3-5-14/h1-12H,13H2 |
| InChIKey |
YJOUTWJRKBAMKR-UHFFFAOYSA-N |
| Molecular Weight |
398.451 g/mol |
| SMILES |
C1=CC=CC=C1CSC=1C(N(=O)=O)=CC=C(C1)SC1=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9334 |
