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2,4-Bis(trifluoromethyl)benzoic acid
SpectraBase Compound ID 6gA0TQXzgNn
InChI InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H,16,17)
InChIKey JTOIZLCQNWWDCN-UHFFFAOYSA-N
Mol Weight 258.12 g/mol
Molecular Formula C9H4F6O2
Exact Mass 258.011548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 574tgethTn2
Name 2,4-Di(Trifluoromethyl)benzoic acid
CAS Registry Number 32890-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4F6O2
InChI InChI=1S/C9H4F6O2/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H,16,17)
InChIKey JTOIZLCQNWWDCN-UHFFFAOYSA-N
Molecular Weight 258.119 g/mol
SMILES OC(c1c(C(F)(F)F)cc(C(F)(F)F)cc1)=O
SPLASH splash10-0006-4590000000-85bfc6de1fa6052daded
Synonyms 2,4-Bis(trifluoromethyl)benzoic acid
Wiley ID 1455322