Vanillic acid

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Systematic / IUPAC Name: 4-Hydroxy-3-methoxybenzoic acid

ID: Reference1471

Other Names: Benzoic acid, 4-hydroxy-3-methoxy-;
3-Methoxy-4-hydroxybenzoic acid;
4-Hydroxy-m-anisic acid;
4-Hydroxy-3-methoxy benzoic acid;
4-Hydroxy-m-anisate ; more

Formula: C8H8O4

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Vanillic 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
No. of Spectral Trees 1
No. of Spectra 172
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 11:06:45 AM
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Identificators

InChI InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI Key WKOLLVMJNQIZCI-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)C(=O)O)O
CAS 121346
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Other Names Benzoic acid, 4-hydroxy-3-methoxy-;
3-Methoxy-4-hydroxybenzoic acid;
4-Hydroxy-m-anisic acid;
4-Hydroxy-3-methoxy benzoic acid;
4-Hydroxy-m-anisate;
3-Methoxy-4-hydroxybenzoate;
Protocatechuic acid 3-methyl ester;
p-Vanillate

In Other Databases

ChEBI CHEBI:30816
PubChem 8468
HMDb HMDB00484
KEGG C06672
ChEMBL CHEMBL120568
ChemIDPlus 000121346; 006746481
Wikipedia Vanillic acid
ChemSpider 8155