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methyl 2-methoxy-6-(3-oxobutyl)benzoate
SpectraBase Compound ID 3Zsdcc5MybL
InChI InChI=1S/C13H16O4/c1-9(14)7-8-10-5-4-6-11(16-2)12(10)13(15)17-3/h4-6H,7-8H2,1-3H3
InChIKey MCFFRUGRBYMSLE-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 30obtk9iD5F
Name methyl 2-methoxy-6-(3-oxobutyl)benzoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H16O4/c1-9(14)7-8-10-5-4-6-11(16-2)12(10)13(15)17-3/h4-6H,7-8H2,1-3H3
InChIKey MCFFRUGRBYMSLE-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Molecular Weight 236.267 g/mol
Quality 3
Reported Formula C13H16O4
SMILES COC(C1=C(C=CC=C1CCC(C)=O)OC)=O
SPLASH splash10-03di-0900000000-4c0aa8a707d4d9e56f71
Source of Spectrum QE-24-SM12-3ba (DOI: 10.1002/chem.201800757)
Wiley ID 1900140