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Benzoic acid, 3,4-dimethyl-2-(3-methyl-1-oxobutyl)-
SpectraBase Compound ID 7KIsrKKgz7W
InChI InChI=1S/C14H18O3/c1-8(2)7-12(15)13-10(4)9(3)5-6-11(13)14(16)17/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKey RDEVXWSNDVLNRA-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 6Gf4tYkqXBY
Name Benzoic acid, 3,4-dimethyl-2-(3-methyl-1-oxobutyl)-
CAS Registry Number 71940-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-8(2)7-12(15)13-10(4)9(3)5-6-11(13)14(16)17/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKey RDEVXWSNDVLNRA-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES OC(c1c(c(C)c(cc1)C)C(=O)CC(C)C)=O
SPLASH splash10-0fb9-3930000000-b2f250842066644f1551
Synonyms 3,4-Dimethyl-2-(3-methylbutanoyl)benzoic acid 2-isovaleryl-3,4-dimethyl-benzoic acid 3,4-Dimethyl-2-(3-methyl-1-oxobutyl)benzoic acid
Wiley ID 1488256