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2-Benzyl-3,3-dimethylbutanoic acid
SpectraBase Compound ID 6QoK0rCmVNc
InChI InChI=1S/C13H18O2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,15)
InChIKey UKWWMMXKMDNJEM-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A51GdMcqZVW
Name 2-Benzyl-3,3-dimethylbutanoic acid
Alternate Name(s) .alpha.-(tert-Butyl)hydrocinnamic acid 2-Benzyl-3,3-dimethyl-butyric acid 3,3-Dimethyl-2-(phenylmethyl)butanoic acid Benzenepropanoic acid, .alpha.-(1,1-dimethylethyl)-
CAS Registry Number 53483-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,14,15)
InChIKey UKWWMMXKMDNJEM-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES OC(C(C(C)(C)C)Cc1ccccc1)=O
SPLASH splash10-0535-6910000000-3c6ffdf1ba242b66844b
Source of Spectrum AD-0-2532-0
Wiley ID 1426887