| SpectraBase Spectrum ID |
LPxXP9JKlN6 |
| Name |
4-Chlorophenyl 2-fluoro-3-methylbenzyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.023056661 u |
| Formula |
C14H12ClFO2S |
| InChI |
InChI=1S/C14H12ClFO2S/c1-10-3-2-4-11(14(10)16)9-19(17,18)13-7-5-12(15)6-8-13/h2-8H,9H2,1H3 |
| InChIKey |
NLYMFNIJWHZOLM-UHFFFAOYSA-N |
| Molecular Weight |
298.759 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)Cl)(=O)=O)C1=C(C(C)=CC=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858419 |
