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Butanoic acid, 3-hydroxy-3-methyl-, methyl ester
SpectraBase Compound ID 5T0S5CT5g0b
InChI InChI=1S/C6H12O3/c1-6(2,8)4-5(7)9-3/h8H,4H2,1-3H3
InChIKey JNURPEZKOSMRMZ-UHFFFAOYSA-N
Mol Weight 132.16 g/mol
Molecular Formula C6H12O3
Exact Mass 132.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2T6UOdFExdb
Name methyl 3-hydroxy-3-methylbutanoate
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 132.078644243 u
Formula C6H12O3
InChI InChI=1S/C6H12O3/c1-6(2,8)4-5(7)9-3/h8H,4H2,1-3H3
InChIKey JNURPEZKOSMRMZ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5994
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740340916
Molecular Weight 132.159 g/mol
Number of Peaks 8
SMILES OC(CC(=O)OC)(C)C
SPLASH splash10-052f-9000000000-cc4f3382cdfba1cbd12e
Source of Spectrum SFA-34-993-993-3 (DOI: 10.1002/jsfa.2740340916)
Wiley ID 1856626