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acetoacetic acid, sec-butyl ester
SpectraBase Compound ID JsDOKP9PxJi
InChI InChI=1S/C8H14O3/c1-4-7(3)11-8(10)5-6(2)9/h7H,4-5H2,1-3H3
InChIKey QSTNBMLCULGCQE-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xQ2IuclYRo
Name Butanoic acid, 3-oxo-, 1-methylpropyl ester
Alternate Name(s) sec-Butyl 3-oxobutanoate 3-Ketobutyric acid sec-butyl ester 3-Oxobutanoic acid butan-2-yl ester sec-Butyl Acetoacetate Acetoacetic acid, sec-butyl ester Butan-2-yl 3-oxidanylidenebutanoate Butan-2-yl 3-oxobutanoate
CAS Registry Number 13562-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-4-7(3)11-8(10)5-6(2)9/h7H,4-5H2,1-3H3
InChIKey QSTNBMLCULGCQE-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES C(CC(=O)C)(=O)OC(CC)C
SPLASH splash10-000l-9100000000-b6890fae94c209454270
Source of Spectrum AA-0-982-4
Wiley ID 1155168