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2-Fluoro-6-deuterobenzoic acid
SpectraBase Compound ID 41g2Ya7Iq69
InChI InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/i3D
InChIKey NSTREUWFTAOOKS-WFVSFCRTSA-N
Mol Weight 141.12 g/mol
Molecular Formula C7H4DFO2
Exact Mass 141.033634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6orb0iIfWe4
Name 2-Fluoro-6-deuterobenzoic acid
Appearance White crystals
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Exact Mass 141.033634308 u
Formula C7H4DFO2
InChI InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/i3D
InChIKey NSTREUWFTAOOKS-WFVSFCRTSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/chem.201703680
Molecular Weight 141.120 g/mol
Quality 294
Reported Formula C7H5FO2
SMILES OC(C=1C(=CC=CC1[D])F)=O
SPLASH splash10-00dm-6900000000-d7ad220ad30c1a4cc52a
Source of Spectrum QE-23-SM58-[D]1-1a (DOI: 10.1002/chem.201703680)
Wiley ID 1906036