(2-Acetyl-3-hydroxy-5-methoxyphenyl)acetic acid

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Systematic / IUPAC Name: (2-Acetyl-3-hydroxy-5-methoxyphenyl)acetic acid

ID: Reference7590

Other Names: 2-(2-Acetyl-3-hydroxy-5-methoxy-phenyl)acetic acid;
Benzeneacetic acid, 2-acetyl-3-hydroxy-5-methoxy-

Formula: C11H12O5

Spectral Data

(2-Acetyl-3-hydroxy-5-methoxyphenyl)acetic 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 62
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/20/2018 11:06:03 AM
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Identificators

InChI InChI=1S/C11H12O5/c1-6(12)11-7(4-10(14)15)3-8(16-2)5-9(11)13/h3,5,13H,4H2,1-2H3,(H,14,15)
InChI Key UYUOIPIOTPMHKV-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=C(C=C(C=C1CC(=O)O)OC)O
CAS
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Other Names 2-(2-Acetyl-3-hydroxy-5-methoxy-phenyl)acetic acid;
Benzeneacetic acid, 2-acetyl-3-hydroxy-5-methoxy-

In Other Databases

PubChem 16745395
ChEMBL CHEMBL1399010
ChemSpider 20576629