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Butanoic acid, 2-methyl-3-oxo-, 2,4-pentadienyl ester
SpectraBase Compound ID D9zPNf4OqJX
InChI InChI=1S/C10H14O3/c1-4-5-6-7-13-10(12)8(2)9(3)11/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKey JFQRFWWDWLWBBE-AATRIKPKSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwxdZC9Gf2o
Name Butanoic acid, 2-methyl-3-oxo-, 2,4-pentadienyl ester
Alternate Name(s) (2E)-2,4-pentadienyl 2-methyl-3-oxobutanoate 2,4-Pentadien-1-yl-.alpha.-methylacetoacetate
CAS Registry Number 86747-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-4-5-6-7-13-10(12)8(2)9(3)11/h4-6,8H,1,7H2,2-3H3/b6-5+
InChIKey JFQRFWWDWLWBBE-AATRIKPKSA-N
Molecular Weight 182.219 g/mol
SMILES C(C(=O)OC\C=C\C=C)(C(=O)C)C
SPLASH splash10-066r-9000000000-a6c2cd0fe340ab5a00b1
Source of Spectrum J-48-3426-0
Wiley ID 1178362