3,5-Dimethoxybenzoic acid

Systematic / IUPAC Name: 3,5-Dimethoxybenzoic acid

ID: Reference3305

Other Names: BR-32874;
Benzoic acid, 3,5-dimethoxy-

Formula: C9H10O4

Class: Endogenous Metabolites

Spectral Data

3,5-Dimethoxybenzoic 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 230
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2015 9:32:52 AM
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Identificators

InChI InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
InChI Key IWPZKOJSYQZABD-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC(=C1)C(=O)O)OC
CAS 1132214
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Other Names BR-32874;
Benzoic acid, 3,5-dimethoxy-

In Other Databases

ChemIDPlus 001132214
ChemSpider 13693
PubChem 14332