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Methyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate

View entire compound with spectra: 3 MS (GC)

Methyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate
SpectraBase Compound ID E3SsoPAvCDc
InChI InChI=1S/C15H20O3/c1-9(2)8-13(16)14-11(4)10(3)6-7-12(14)15(17)18-5/h6-7,9H,8H2,1-5H3
InChIKey OYSMRNJJZRRGLG-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B50uxdAMIWR
Name Methyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate
Alternate Name(s) 2-isovaleryl-3,4-dimethyl-benzoic acid methyl ester 3,4-Dimethyl-2-(3-methyl-1-oxobutyl)benzoic acid methyl ester 3,4-Dimethyl-2-(3-methyl-butyryl)-benzoic acid, methyl ester
CAS Registry Number 71940-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(2)8-13(16)14-11(4)10(3)6-7-12(14)15(17)18-5/h6-7,9H,8H2,1-5H3
InChIKey OYSMRNJJZRRGLG-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES Cc1c(c(ccc1C)C(=O)OC)C(=O)CC(C)C
SPLASH splash10-0006-1900000000-f448cffd5ce3ec7bad90
Wiley ID 1482911