| SpectraBase Spectrum ID |
4MMcwDgB6FE |
| Name |
1,5-Dichloro-2-((3-fluorobenzyl)sulfonyl)-4-methylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.984084329 u |
| Formula |
C14H11Cl2FO2S |
| InChI |
InChI=1S/C14H11Cl2FO2S/c1-9-5-14(13(16)7-12(9)15)20(18,19)8-10-3-2-4-11(17)6-10/h2-7H,8H2,1H3 |
| InChIKey |
QSDLBBICUQEPCZ-UHFFFAOYSA-N |
| Molecular Weight |
333.204 g/mol |
| SMILES |
C1(S(CC2=CC(F)=CC=C2)(=O)=O)=C(C=C(C(=C1)C)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915797 |
