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Acetoacetic acid, isopropyl ester
SpectraBase Compound ID 7gxKcQcTy1q
InChI InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey GVIIRWAJDFKJMJ-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rzROBpYv8Q
Name Acetoacetic acid, isopropyl ester
CAS Registry Number 542-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey GVIIRWAJDFKJMJ-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES C(CC(=O)C)(=O)OC(C)C
SPLASH splash10-0006-9000000000-3bb6cef22ef7c4b8e13c
Source of Spectrum JX-2015-6-1851
Synonyms Butanoic acid, 3-oxo-, 1-methylethyl ester 3-Ketobutyric acid isopropyl ester 3-Oxo-butyric acid isopropyl ester Isopropyl 3-oxobutanoate 3-Oxobutanoic acid propan-2-yl ester Isopropyl acetylacetate Propan-2-yl 3-oxidanylidenebutanoate Propan-2-yl 3-oxobutanoate Iso-propyl acetoacetate Isopropyl acetoacetate EINECS 208-798-4
Wiley ID 1728155