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1-Methyl-2-propenyl 3-oxobutanoate
SpectraBase Compound ID EHhgtldYDUs
InChI InChI=1S/C8H12O3/c1-4-7(3)11-8(10)5-6(2)9/h4,7H,1,5H2,2-3H3
InChIKey CVWKTKTYWDIBJV-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYNXhJ92tpK
Name 1-Methyl-2-propenyl 3-oxobutanoate
Alternate Name(s) 1-Methylallyl 3-oxobutanoate 3-ketobutyric acid 1-methylallyl ester 3-Oxobutanoic acid but-3-en-2-yl ester But-3-en-2-yl 3-oxidanylidenebutanoate But-3-en-2-yl 3-oxobutanoate
CAS Registry Number 25456-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-4-7(3)11-8(10)5-6(2)9/h4,7H,1,5H2,2-3H3
InChIKey CVWKTKTYWDIBJV-UHFFFAOYSA-N
Molecular Weight 156.181 g/mol
SMILES C(CC(=O)C)(=O)OC(C=C)C
SPLASH splash10-0abl-9000000000-3cb2fd8d7c8fb06462f5
Source of Spectrum J-53-450-5
Wiley ID 1153426