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Benzene, 1,2,4,5-tetrafluoro-3-[(4-methylphenyl)sulfonyl]-6-(trifluoromethyl)-
SpectraBase Compound ID Ikho3DVCSF0
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
Mol Weight 372.26 g/mol
Molecular Formula C14H7F7O2S
Exact Mass 372.005498 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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