| SpectraBase Spectrum ID |
CPhNepOBVy5 |
| Name |
(3-Fluoro-4-nitrobenzyl) phenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.031457139 u |
| Formula |
C13H10FNO4S |
| InChI |
InChI=1S/C13H10FNO4S/c14-12-8-10(6-7-13(12)15(16)17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2 |
| InChIKey |
HGSWMTOQHFOELO-UHFFFAOYSA-N |
| Molecular Weight |
295.284 g/mol |
| SMILES |
C(S(=O)(=O)C=1C=CC=CC1)C=1C=C(F)C(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827162 |
