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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 4Pg46c3DRic
Name BENZOIC ACID, 3,4-DIMETHYL-2-(3-METHYL-1-OXOBUTYL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 234.1251
SMILES OC(=O)c1ccc(c(c1C(CC(C)C)=O)C)C
SPLASH splash10-0fb9-3930000000-4d50bb90e2ee6bbfe7d5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany