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Benzenebutanoic acid, .alpha.,.alpha.-dimethyl-.gamma.-oxo-
SpectraBase Compound ID DjyTsxdzFOW
InChI InChI=1S/C12H14O3/c1-12(2,11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)
InChIKey IGOADEDHOFTRIG-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4g0tMhnfDOM
Name Benzenebutanoic acid, .alpha.,.alpha.-dimethyl-.gamma.-oxo-
CAS Registry Number 15116-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-12(2,11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,15)
InChIKey IGOADEDHOFTRIG-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES OC(C(C)(C)CC(c1ccccc1)=O)=O
SPLASH splash10-0a6r-8910000000-3b3d8b7cabaeff349fcf
Source of Spectrum OS-5-421-0
Synonyms 2,2-Dimethyl-4-oxo-4-phenylbutanoic acid .beta.-Benzoyl-.alpha.,.alpha.-dimethylpropionic acid 2,2-Dimethyl-4-oxidanylidene-4-phenyl-butanoic acid 4-keto-2,2-dimethyl-4-phenyl-butyric acid Propionic acid, 3-benzoyl-2,2-dimethyl-
Wiley ID 1204349