| SpectraBase Spectrum ID |
34isivEau1n |
| Name |
1-Chloro-2,4-dinitro-2-[(.beta.-styrylsulfonyl)methyl]benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.002634950 u |
| Formula |
C15H11ClN2O6S |
| InChI |
InChI=1S/C15H11ClN2O6S/c16-13-6-7-14(17(19)20)12(15(13)18(21)22)10-25(23,24)9-8-11-4-2-1-3-5-11/h1-9H,10H2/b9-8+ |
| InChIKey |
BWKAPEXDLVAYQT-CMDGGOBGSA-N |
| Molecular Weight |
382.774 g/mol |
| SMILES |
C1(=C([N+]([O-])=O)C(Cl)=CC=C1[N+]([O-])=O)CS(\C=C\C=1C=CC=CC1)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865653 |
![1-Chloro-2,4-dinitro-2-[(.beta.-styrylsulfonyl)methyl]benzene](/api/spectrum/34isivEau1n/structure.png?h=300&w=458 "1-Chloro-2,4-dinitro-2-[(.beta.-styrylsulfonyl)methyl]benzene")
