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4-Fluorobenzoic acid
SpectraBase Compound ID 2ittu5MsROJ
InChI InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey BBYDXOIZLAWGSL-UHFFFAOYSA-N
Mol Weight 140.11 g/mol
Molecular Formula C7H5FO2
Exact Mass 140.027358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm8f3nyZidM
Name 4-Fluorobenzoic acid
CAS Registry Number 455-38-9
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 140.027357562 u
Formula C7H5FO2
InChI InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey BBYDXOIZLAWGSL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 140.113 g/mol
Nominal Mass 140 u
Quality 962
Retention Index 1237
SMILES OC(C1=CC=C(C=C1)F)=O
SPLASH splash10-00dm-9800000000-fed9adbfbbf78fcc3e86
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms p-Fluorobenzoic acid
Technique GC/MS
Wiley ID DD2024_012246