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3-Acetyl-2-methoxy-4-methyl-benzoic acid methyl ester
SpectraBase Compound ID 6mMMVLTPVxk
InChI InChI=1S/C12H14O4/c1-7-5-6-9(12(14)16-4)11(15-3)10(7)8(2)13/h5-6H,1-4H3
InChIKey SDYUDVXOJQKHPR-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 9p6J8nfFxhf
Name 3-Acetyl-2-methoxy-4-methyl-benzoic acid methyl ester
Alternate Name(s) Methyl 3-acetyl-2-methoxy-4-methyl-benzoate Methyl 3-ethanoyl-2-methoxy-4-methyl-benzoate 3-Acetyl-2-methoxy-4-methylbenzoic acid methyl ester
CAS Registry Number 80597-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7-5-6-9(12(14)16-4)11(15-3)10(7)8(2)13/h5-6H,1-4H3
InChIKey SDYUDVXOJQKHPR-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES c1(c(c(C(=O)C)c(cc1)C)OC)C(=O)OC
SPLASH splash10-0006-2920000000-b4530085321c7f0319b8
Source of Spectrum F-40-4762-0
Wiley ID 1222197