| SpectraBase Spectrum ID |
5f1DYngyfkv |
| Name |
1,3-Dinitro-4-[(.beta.-styrylsulfonyl)methyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.041607282 u |
| Formula |
C15H12N2O6S |
| InChI |
InChI=1S/C15H12N2O6S/c18-16(19)14-7-6-13(15(10-14)17(20)21)11-24(22,23)9-8-12-4-2-1-3-5-12/h1-10H,11H2/b9-8+ |
| InChIKey |
QIVYQTOCRJRAPV-CMDGGOBGSA-N |
| Molecular Weight |
348.329 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=CC=C1CS(\C=C\C1=CC=CC=C1)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916324 |
![1,3-Dinitro-4-[(.beta.-styrylsulfonyl)methyl]benzene](/api/spectrum/5f1DYngyfkv/structure.png?h=300&w=458 "1,3-Dinitro-4-[(.beta.-styrylsulfonyl)methyl]benzene")
