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Benzeneacetic acid, 2-acetyl-3-methoxy-, methyl ester
SpectraBase Compound ID 6iIpQV5RNce
InChI InChI=1S/C12H14O4/c1-8(13)12-9(7-11(14)16-3)5-4-6-10(12)15-2/h4-6H,7H2,1-3H3
InChIKey LYFXJOIJVLENCO-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BUmjeTMXBY
Name Benzeneacetic acid, 2-acetyl-3-methoxy-, methyl ester
CAS Registry Number 51281-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8(13)12-9(7-11(14)16-3)5-4-6-10(12)15-2/h4-6H,7H2,1-3H3
InChIKey LYFXJOIJVLENCO-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES c1(c(CC(=O)OC)cccc1OC)C(=O)C
SPLASH splash10-03fr-0910000000-0144b54ccdee98d98500
Source of Spectrum B-41-548-9
Synonyms Methyl (2-acetyl-3-methoxyphenyl)acetate Methyl 2-acetyl-3-methoxybenzeneacetate
Wiley ID 1222255