Benzoic acid

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Systematic / IUPAC Name: Benzoic acid

ID: Reference332

Other Names: Benzeneformic acid;
Benzenecarboxylic acid;
Phenylformic acid;
Carboxybenzene;
Benzenemethanoic acid ; more

Formula: C7H6O2

Class: Industrial Chemicals Excipients/Additives/Colorants Endogenous Metabolites

Spectral Data

Benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 239
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/17/2014 10:45:29 AM
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Identificators

InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C(=O)O
CAS 65850
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Other Names Benzeneformic acid;
Benzenecarboxylic acid;
Phenylformic acid;
Carboxybenzene;
Benzenemethanoic acid;
Phenylcarboxylic acid;
Phenylcarboxylate;
Benzenecarboxylate;
Dracylic acid;
Retardex;
Diacylic acid;
Oracylic acid

In Other Databases

ChEMBL CHEMBL541
Wikipedia Benzoic acid
HMDb HMDB01870
ChEBI CHEBI:30746
ChemSpider 238; 21170273
ChemIDPlus 000065850; 000532321; 000553548; 000582252; 000583153; 000094439; 000766767; 004337660; 003734336; 008000951
PubChem 243
KEGG C00180; C03096; C13403; D00675; D00038; D02277; D02294; D02409; C00539