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3-oxohexanoic acid, ethyl ester
SpectraBase Compound ID 4eKnKLlYpkj
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7O6Oo5G3pi
Name Hexanoic acid, 3-oxo-, ethyl ester
Alternate Name(s) 3-Keto-n-hexanoic acid ethyl ester 3-ketohexanoic acid ethyl ester 3-Oxohexanoic acid ethyl ester Ethyl .alpha.-butyrylacetate Ethyl 3-oxidanylidenehexanoate Ethyl 3-oxohexanoate Ethyl butyroacetate Ethyl butyrylacetate
CAS Registry Number 3249-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES C(=O)(CC(OCC)=O)CCC
SPLASH splash10-00fu-9100000000-ccf916f895f906669010
Wiley ID 1497296