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3,5-difluoro(4-d)benzoate
SpectraBase Compound ID DGv6eds18Cv
InChI InChI=1S/C9H8F2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3/i5D
InChIKey BLZSTFIKMISHNJ-UICOGKGYSA-N
Mol Weight 187.16 g/mol
Molecular Formula C9H7DF2O2
Exact Mass 187.055513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CMUks28V1U
Name 3,5-difluoro(4-d)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7DF2O2
InChI InChI=1S/C9H8F2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3/i5D
InChIKey BLZSTFIKMISHNJ-UICOGKGYSA-N
Instrument Name Thermo-Scientific Focus DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000284
Molecular Weight 187.164 g/mol
SMILES c1(c(c(cc(c1)C(OCC)=O)F)[D])F
SPLASH splash10-06r6-0900000000-c94c89676a87f0874763
Source of Spectrum U1-2020-3211-11
Wiley ID 1860584