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4-Acetyl-3-methoxy-5-methyl-benzoic acid ethyl ester
SpectraBase Compound ID FxmG4GihLZ0
InChI InChI=1S/C13H16O4/c1-5-17-13(15)10-6-8(2)12(9(3)14)11(7-10)16-4/h6-7H,5H2,1-4H3
InChIKey VXAXFCKIXFBSSM-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XD75A5EpOJ
Name 4-Acetyl-3-methoxy-5-methyl-benzoic acid ethyl ester
Alternate Name(s) Ethyl 4-acetyl-3-methoxy-5-methyl-benzoate Ethyl 4-ethanoyl-3-methoxy-5-methyl-benzoate 4-Acetyl-3-methoxy-5-methylbenzoic acid ethyl ester
CAS Registry Number 80597-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-5-17-13(15)10-6-8(2)12(9(3)14)11(7-10)16-4/h6-7H,5H2,1-4H3
InChIKey VXAXFCKIXFBSSM-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES c1(c(cc(cc1C)C(=O)OCC)OC)C(=O)C
SPLASH splash10-004l-9230000000-ea2d7c02ee28256d49c8
Source of Spectrum F-40-4763-0
Wiley ID 1238012