SpectraBase Spectrum ID |
7DWBy90uMID |
Name |
Benzene, 1,2,4,5-tetrafluoro-3-[(4-methylphenyl)sulfonyl]-6-(trifluoromethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
372.005497778 u |
Formula |
C14H7F7O2S |
InChI |
InChI=1S/C14H7F7O2S/c1-6-2-4-7(5-3-6)24(22,23)13-11(17)9(15)8(14(19,20)21)10(16)12(13)18/h2-5H,1H3 |
InChIKey |
PKFAKCXMKFPKDX-UHFFFAOYSA-N |
Molecular Weight |
372.257 g/mol |
SMILES |
C1(=C(C(=C(C(=C1F)S(C1=CC=C(C=C1)C)(=O)=O)F)F)C(F)(F)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908476 |