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Benzeneacetic acid, 3,5-dihydroxy-4-methyl-, methyl ester
SpectraBase Compound ID 2L13FQICSc
InChI InChI=1S/C10H12O4/c1-6-8(11)3-7(4-9(6)12)5-10(13)14-2/h3-4,11-12H,5H2,1-2H3
InChIKey YJCXETOWMVKZQP-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 HNUWEgl1XhL
Name Benzeneacetic acid, 3,5-dihydroxy-4-methyl-, methyl ester
CAS Registry Number 61067-66-1
Comments Less than 3 mono-isotopic peaks
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Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-6-8(11)3-7(4-9(6)12)5-10(13)14-2/h3-4,11-12H,5H2,1-2H3
InChIKey YJCXETOWMVKZQP-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES Oc1c(c(cc(c1)CC(=O)OC)O)C
SPLASH splash10-000i-0900000000-95f8424360a3c39a9084
Source of Spectrum C-98-7741-0
Synonyms methyl (3,5-dihydroxy-4-methylphenyl)acetate 2-(3,5-dihydroxy-4-methylphenyl)acetic acid methyl ester methyl 2-(3,5-dihydroxy-4-methylphenyl)acetate methyl 2-(3,5-dihydroxy-4-methyl-phenyl)acetate methyl 2-[4-methyl-3,5-bis(oxidanyl)phenyl]ethanoate
Wiley ID 1192780