| SpectraBase Spectrum ID |
FdEVPwElI8v |
| Name |
.alpha.-Nitro-.alpha.-bromobenzyl phenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.951391976 u |
| Formula |
C13H10BrNO4S |
| InChI |
InChI=1S/C13H10BrNO4S/c14-13(15(16)17,11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h1-10H |
| InChIKey |
MYZFLBDTUAWTKD-UHFFFAOYSA-N |
| Molecular Weight |
356.190 g/mol |
| SMILES |
C1(C(N(=O)=O)(Br)S(=O)(=O)C2=CC=CC=C2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871739 |
