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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 7zdbhdL8GLn
Name Benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Instrument Name Agilent 6850 GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201903727
Molecular Weight 122.123 g/mol
Quality 800
SMILES OC(C1=CC=CC=C1)=O
SPLASH splash10-0kor-9500000000-d28cbd0dd6f80abe8e6a
Source of Spectrum QE-25-SM3-Benzoic acid (DOI: 10.1002/chem.201903727)
Wiley ID 1896919