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Benzoic acid, fluoroanhydride, 3-chloro-4-trifluoromethyl-
SpectraBase Compound ID CX0ns1NfEcz
InChI InChI=1S/C8H3ClF4O/c9-6-3-4(7(10)14)1-2-5(6)8(11,12)13/h1-3H
InChIKey WOWQBKFFFFXDJO-UHFFFAOYSA-N
Mol Weight 226.56 g/mol
Molecular Formula C8H3ClF4O
Exact Mass 225.980855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F0tvjsaGFk9
Name Benzoic acid, fluoroanhydride, 3-chloro-4-trifluoromethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.980855068 u
Formula C8H3ClF4O
InChI InChI=1S/C8H3ClF4O/c9-6-3-4(7(10)14)1-2-5(6)8(11,12)13/h1-3H
InChIKey WOWQBKFFFFXDJO-UHFFFAOYSA-N
Molecular Weight 226.558 g/mol
SMILES C1(=CC=C(C=C1Cl)C(F)=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93522