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Acetic acid, (4-hydroxy-3-methoxyphenyl)-, methyl ester
SpectraBase Compound ID L5CJE2GEiw5
InChI InChI=1S/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3
InChIKey JJJSFAGPWHEUBT-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2CZ0iH7sga
Name Acetic acid, (4-hydroxy-3-methoxyphenyl)-, methyl ester
CAS Registry Number 15964-80-4
Comments Edited after expert review for air contamination - Original record with SpectrumID 22262 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3
InChIKey JJJSFAGPWHEUBT-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES Oc1ccc(cc1OC)CC(=O)OC
SPLASH splash10-000i-4900000000-fb17626f0c871519a580
Source of Spectrum AD-0-4992-0
Synonyms Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester Methyl (4-hydroxy-3-methoxyphenyl)acetate 2-(4-hydroxy-3-methoxy-phenyl)acetic acid methyl ester Homovanillic acid methyl ester Methyl 2-(3-methoxy-4-oxidanyl-phenyl)ethanoate Methyl 2-(4-hydroxy-3-methoxy-phenyl)acetate Methyl 3-methoxy-4-hydroxyphenylacetate Methyl homovanillate 2-(4-hydroxy-3-methoxyphenyl)acetic acid methyl ester EINECS 240-101-9
Wiley ID 1821023