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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 HSU9PJGPgGd
Name Benzoic acid
CAS Registry Number 65-85-0
Classification Benzoic acids
Comments Generally Recognized as Safe; NTIS Accession Number: PB223837
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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
Molecular Weight 122.123 g/mol
Number of Peaks 67
SMILES OC(=O)c1ccccc1
SPLASH splash10-0pk9-9600000000-13ea2b6d25b3d563c3c8
Source of Spectrum AA-0-500-4
Synonyms Acide benzoique Acido benzoico Benzenecarboxylic acid Benzeneformic acid Benzenemethanoic acid Benzenemethonic acid Benzoate Benzoesaeure Benzoesaeure GK Benzoic acid, ammonium salt Benzoesaeure GV Benzoic acid, tech. Carboxybenzene Diacylic acid Dracylic acid Flowers of benjamin Flowers of benzoin Kyselina benzoova Oracylic acid Phenylcarboxylic acid Phenylformic acid Retarded BA Retarder BA Retardex Salvo liquid Salvo powder Salvo, liquid Solvo, powder Solvo powder Tenn-Plas Unisept bza E 210 HA 1 HA 1 (ACID) AI3-0310 AI3-03710 CASWELL NO. 081 CCRIS 1893 EINECS 200-618-2 EPA PESTICIDE CHEMICAL CODE 009101 FEMA NO. 2131 HSDB 704 NSC 149
Wiley ID 4174