3,4-Dimethylbenzoic acid

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Systematic / IUPAC Name: 3,4-Dimethylbenzoic acid

ID: Reference2597

Other Names: Asym-o-xylylic acid;
1-Carboxy-3,4-dimethylbenzene;
Benzoic acid, 3,4-dimethyl-

Formula: C9H10O2

Class: Endogenous Metabolites Natural Products/Medicines Excipients/Additives/Colorants

Spectral Data

3,4-Dimethylbenzoic 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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 181
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/16/2015 1:12:09 PM
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Identificators

InChI InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
InChI Key OPVAJFQBSDUNQA-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=C(C=C1)C(=O)O)C
CAS 619045
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Other Names Asym-o-xylylic acid;
1-Carboxy-3,4-dimethylbenzene;
Benzoic acid, 3,4-dimethyl-

In Other Databases

ChemSpider 11576
ChEBI CHEBI:64818
HMDb HMDB02237
PubChem 12073
ChemIDPlus 000619045