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Acetoacetic acid, propyl ester
SpectraBase Compound ID 8ACo1Y3crLL
InChI InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey DHGFMVMDBNLMKT-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 3TugqcKAlem
Name Acetoacetic acid, propyl ester
CAS Registry Number 1779-60-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey DHGFMVMDBNLMKT-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES CC(CC(=O)OCCC)=O
SPLASH splash10-0006-9100000000-2281b7b41fd5c2d00c70
Source of Spectrum AA-0-791-4
Synonyms Butanoic acid, 3-oxo-, propyl ester Propyl 3-oxobutanoate 3-Ketobutyric acid propyl ester n-propyl acetoacetate 3-Oxobutanoic acid propyl ester Acetoacetic acid n-propyl ester Propyl 3-oxidanylidenebutanoate Propyl acetoacetate Propyl ester of 3-oxobutanoic acid AI3-19258 EINECS 217-223-6
Wiley ID 1142391