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Benzoic acid, 2,3-dimethyl-6-(3-methyl-1-oxobutyl)-
SpectraBase Compound ID GOtnooSDrK7
InChI InChI=1S/C14H18O3/c1-8(2)7-12(15)11-6-5-9(3)10(4)13(11)14(16)17/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKey CENHVBDDLRAFPO-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KU2wWRgu9ez
Name Benzoic acid, 2,3-dimethyl-6-(3-methyl-1-oxobutyl)-
CAS Registry Number 71940-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-8(2)7-12(15)11-6-5-9(3)10(4)13(11)14(16)17/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKey CENHVBDDLRAFPO-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES OC(c1c(ccc(C)c1C)C(=O)CC(C)C)=O
SPLASH splash10-004i-3920000000-9b10b584f9ec5afc14aa
Synonyms 2,3-Dimethyl-6-(3-methylbutanoyl)benzoic acid 2,3-Dimethyl-6-(3-methyl-1-oxobutyl)benzoic acid 6-isovaleryl-2,3-dimethyl-benzoic acid
Wiley ID 1488255