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Methyl 2,3-dimethyl-6-(3-methylbutanoyl)benzoate

View entire compound with spectra: 3 MS (GC)

Methyl 2,3-dimethyl-6-(3-methylbutanoyl)benzoate
SpectraBase Compound ID Harq4uxkAmX
InChI InChI=1S/C15H20O3/c1-9(2)8-13(16)12-7-6-10(3)11(4)14(12)15(17)18-5/h6-7,9H,8H2,1-5H3
InChIKey OGWAVLAGJZBCNK-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 EfrtSIJcVR2
Name Methyl 2,3-dimethyl-6-(3-methylbutanoyl)benzoate
Alternate Name(s) 2,3-Dimethyl-6-(3-methyl-1-oxobutyl)benzoic acid methyl ester 2,3-Dimethyl-6-(3-methyl-butyryl)-benzoic acid, methyl ester 6-isovaleryl-2,3-dimethyl-benzoic acid methyl ester
CAS Registry Number 71940-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(2)8-13(16)12-7-6-10(3)11(4)14(12)15(17)18-5/h6-7,9H,8H2,1-5H3
InChIKey OGWAVLAGJZBCNK-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES Cc1c(c(ccc1C)C(=O)CC(C)C)C(=O)OC
SPLASH splash10-0006-1900000000-520fffd615fad8ba1182
Wiley ID 1482912