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Heptanoic acid, 5-ethyl-4-oxo-, methyl ester
SpectraBase Compound ID DuDjB5gwBrx
InChI InChI=1S/C10H18O3/c1-4-8(5-2)9(11)6-7-10(12)13-3/h8H,4-7H2,1-3H3
InChIKey IJYKVTBRCQPRAD-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1Qhc4ziFg4
Name Heptanoic acid, 5-ethyl-4-oxo-, methyl ester
Alternate Name(s) 5-Ethyl-4-keto-enanthic acid methyl ester 5-Ethyl-4-oxoheptanoic acid methyl ester Methyl 5-ethyl-4-oxidanylidene-heptanoate Methyl 5-ethyl-4-oxo-heptanoate
CAS Registry Number 65213-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-4-8(5-2)9(11)6-7-10(12)13-3/h8H,4-7H2,1-3H3
InChIKey IJYKVTBRCQPRAD-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(=O)(CCC(=O)C(CC)CC)OC
SPLASH splash10-06dl-9400000000-665251f6a0891e28f50f
Source of Spectrum C-106-1769-0
Wiley ID 1182748