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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 B2bH43eDtnE
Name methyl 3-hydroxy-3-methylbutanoate
Appearance Colourless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1021/np300468h
Molecular Weight 132.159 g/mol
SMILES OC(CC(OC)=O)(C)C
SPLASH splash10-052f-9100000000-c7be73d428ccf9d0e476
Source of Spectrum G4-75-SM36-108
Wiley ID 1854715