4-Anisic acid

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Systematic / IUPAC Name: 4-Methoxybenzoic acid

ID: Reference534

Other Names: Benzoic acid, 4-methoxy-;
p-Methoxybenzoic acid;
Methoxybenzoic acid;
p-Methoxybenzoate;
p-Anisic acid ; more

Formula: C8H8O3

Class: Endogenous Metabolites

Spectral Data

4-Anisic 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 2
No. of Spectra 275
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 1:46:41 PM
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Identificators

InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)C(=O)O
CAS 100094
Splash
Other Names Benzoic acid, 4-methoxy-;
p-Methoxybenzoic acid;
Methoxybenzoic acid;
p-Methoxybenzoate;
p-Anisic acid;
Draconic acid;
Anisic acid;
4-Carboxyanisole

In Other Databases

ChEBI CHEBI:40813
Wikipedia p-Anisic acid
ChemSpider 10181338
ChEMBL CHEMBL21932
KEGG C02519
HMDb HMDB01101
PubChem 7478