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Allyl acetoacetate

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, 3 MS (GC), and 2 Near IR

Allyl acetoacetate
SpectraBase Compound ID 8fKkLSwCSvN
InChI InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
InChIKey AXLMPTNTPOWPLT-UHFFFAOYSA-N
Mol Weight 142.15 g/mol
Molecular Formula C7H10O3
Exact Mass 142.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7388bygVP6e
Name Butanoic acid, 3-oxo-, 2-propenyl ester
Alternate Name(s) Allyl 3-oxobutanoate 3-ketobutyric acid allyl ester 3-Oxobutanoic acid prop-2-enyl ester Acetoacetic acid, allyl ester Allyl acetoacetate Allyl acetylacetate Prop-2-enyl 3-oxidanylidenebutanoate Prop-2-enyl 3-oxobutanoate AI3-04977 EINECS 214-269-9
CAS Registry Number 1118-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O3
InChI InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
InChIKey AXLMPTNTPOWPLT-UHFFFAOYSA-N
Molecular Weight 142.154 g/mol
SMILES CC(CC(=O)OCC=C)=O
SPLASH splash10-0006-9000000000-6da67ede1a0a888f87f0
Source of Spectrum J-53-450-1
Wiley ID 1140763