Ethyl protocatechuate

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Systematic / IUPAC Name: Ethyl 3,4-dihydroxybenzoate

ID: Reference3463

Other Names: 3,4-Dihydroxybenzoic acid ethyl ester;
3,4-Dihydroxyethyl benzoate;
Benzoic acid, 3,4-dihydroxy-, ethyl ester;
Ethyl3,4-dihydroxybenzoate;
Protocatechuic acid ethyl ester

Formula: C9H10O4

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

Spectral Data

Ethyl protocatechuate 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 1259
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/3/2015 11:29:58 AM
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Identificators

InChI InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
InChI Key KBPUBCVJHFXPOC-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CC(=C(C=C1)O)O
CAS 3943893
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Other Names 3,4-Dihydroxybenzoic acid ethyl ester;
3,4-Dihydroxyethyl benzoate;
Benzoic acid, 3,4-dihydroxy-, ethyl ester;
Ethyl3,4-dihydroxybenzoate;
Protocatechuic acid ethyl ester

In Other Databases

ChemIDPlus 003943893
Wikipedia Ethyl protocatechuate
ChemSpider 69954
PubChem 77547