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2-Acetoacetylpent-4-enoic acid methyl ester
SpectraBase Compound ID LBdqz3wsWQz
InChI InChI=1S/C10H14O4/c1-4-5-8(10(13)14-3)9(12)6-7(2)11/h4,8H,1,5-6H2,2-3H3
InChIKey IHHKSLJZRRQIRE-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IjdhUPuq3w
Name 2-Acetoacetylpent-4-enoic acid methyl ester
Alternate Name(s) 3,5-Dioxo-2-prop-2-enylhexanoic acid methyl ester Methyl 2-acetoacetyl-4-pentenoate Methyl 2-allyl-3,5-dioxo-hexanoate Methyl 3,5-bis(oxidanylidene)-2-prop-2-enyl-hexanoate Methyl 3,5-dioxo-2-prop-2-enylhexanoate
CAS Registry Number 113618-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-4-5-8(10(13)14-3)9(12)6-7(2)11/h4,8H,1,5-6H2,2-3H3
InChIKey IHHKSLJZRRQIRE-UHFFFAOYSA-N
Molecular Weight 198.218 g/mol
SMILES C(C(CC(=O)C)=O)(C(=O)OC)CC=C
SPLASH splash10-0006-9000000000-9d37789b5fbf452b347d
Source of Spectrum F-46-2042-6
Wiley ID 1195234