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2,6-Difluorobenzoic acid
SpectraBase Compound ID BCI2ihCJJX9
InChI InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey ONOTYLMNTZNAQZ-UHFFFAOYSA-N
Mol Weight 158.1 g/mol
Molecular Formula C7H4F2O2
Exact Mass 158.017936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEp4qpW0Zqy
Name 2,6-Difluorobenzoic acid
CAS Registry Number 385-00-2
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 158.017935693 u
Formula C7H4F2O2
InChI InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey ONOTYLMNTZNAQZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 158.104 g/mol
Nominal Mass 158 u
Quality 989
Retention Index 1224
SMILES OC(C1=C(C=CC=C1F)F)=O
SPLASH splash10-06r6-6900000000-c2317d6c7f0ee34190c0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,6-difluorobenzoic acid
Technique GC/MS
Wiley ID DD2024_004985