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Octanoic acid, 3-oxo-4-(2-propenyl)-, methyl ester
SpectraBase Compound ID 9JqJPgIhTEp
InChI InChI=1S/C12H20O3/c1-4-6-8-10(7-5-2)11(13)9-12(14)15-3/h5,10H,2,4,6-9H2,1,3H3
InChIKey NENWIDDAJWKXGF-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gZhbo12si
Name Octanoic acid, 3-oxo-4-(2-propenyl)-, methyl ester
CAS Registry Number 30414-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-4-6-8-10(7-5-2)11(13)9-12(14)15-3/h5,10H,2,4,6-9H2,1,3H3
InChIKey NENWIDDAJWKXGF-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C(C(CCCC)CC=C)(CC(OC)=O)=O
SPLASH splash10-0ldl-9400000000-d5dda4be15b5f86e260d
Source of Spectrum I-50-2708-112
Synonyms Methyl 4-butyl-3-oxo-6-heptenoate 3-Oxo-4-prop-2-enyloctanoic acid methyl ester 4-Butyl-3-keto-hept-6-enoic acid methyl ester Methyl 3-oxidanylidene-4-prop-2-enyl-octanoate Methyl 3-oxo-4-prop-2-enyloctanoate Methyl 4-allyl-3-oxo-octanoate Octanoic acid, 4-allyl-3-oxo-, methyl ester
Wiley ID 1211439