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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 GTYEkNhfDcF
Name BENZOIC ACID, 2,3-DIMETHYL-6-(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)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 234.1251
SMILES OC(=O)c1c(c(C)ccc1C(CC(C)C)=O)C
SPLASH splash10-004i-3920000000-9e3c8171571971b359bc
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany