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4-Fluorophenylacetic acid
SpectraBase Compound ID IdToTAFCf1U
InChI InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey MGKPFALCNDRSQD-UHFFFAOYSA-N
Mol Weight 154.14 g/mol
Molecular Formula C8H7FO2
Exact Mass 154.043008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n7vVoQLQm
Name 4-Fluorophenylacetic acid
CAS Registry Number 405-50-5
Classification Chemical Intermediate
Comments Original RI info: <1000*
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Exact Mass 154.043007626 u
Formula C8H7FO2
InChI InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey MGKPFALCNDRSQD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 154.140 g/mol
SMILES C(=O)(Cc1ccc(cc1)F)O
SPLASH splash10-0a4i-3900000000-4732cd0a68c185eb97b5
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5156