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3,3-Dimethylbutyric acid
SpectraBase Compound ID Dgf4bVoPGsh
InChI InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey MLMQPDHYNJCQAO-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChPkwQPUHWe
Name Butanoic acid, 3,3-dimethyl-
Alternate Name(s) Butyric acid, 3,3-dimethyl- (CH3)3CCH2COOH 3,3-Dimethyl-butyric acid 3,3-Dimethyl-n-butyric acid 3,3-Dimethylbutanoic acid t-Butylacetic acid tert-Butylacetic acid AI3-19252 EINECS 213-982-2 NSC 4537
CAS Registry Number 1070-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey MLMQPDHYNJCQAO-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES OC(CC(C)(C)C)=O
SPLASH splash10-0a4i-9000000000-c5db785c93dc79831f8f
Source of Spectrum NP-16-6690-0
Wiley ID 1095762