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Benzenecarboxylic acid
SpectraBase Compound ID 3KpqxKPYbC8
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
Mol Weight 122.12 g/mol
Molecular Formula C7H6O2
Exact Mass 122.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AUSnQKwHQ
Name Benzoic acid
CAS Registry Number 65-85-0
Classification Chemical, preservative
Comments Spectrum verified by crosschecking against external libraries (seven reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 122.036779431 u
Formula C7H6O2
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 122.123 g/mol
Nominal Mass 122 u
Quality 999
Retention Index 1180
SMILES OC(C=1C=CC=CC1)=O
SPLASH splash10-0adi-8900000000-6e38d89f80417fe33466
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms benzoic acid
Technique GC/MS
Wiley ID DD2024_031203