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2,6-Bis(trifluoromethyl)benzoic acid
SpectraBase Compound ID AGsq6aHkVCe
InChI InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
InChIKey XZNLSDPNMNWCRE-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 HUAolo49zCe
Name 2,6-Bis(trifluoromethyl)benzoic acid
CAS Registry Number 24821-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4F6O2
InChI InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
InChIKey XZNLSDPNMNWCRE-UHFFFAOYSA-N
Molecular Weight 258.119 g/mol
SMILES OC(c1c(C(F)(F)F)cccc1C(F)(F)F)=O
SPLASH splash10-0006-0390000000-d21c9bb8b3f6056db792
Source of Spectrum F-54-6785-3
Synonyms 2,6-Di(Trifluoromethyl)benzoic acid Benzoic acid, 2,6-bis(trifluoromethyl)-
Wiley ID 807360