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Butanoic acid, 3-oxo-, hexyl ester
SpectraBase Compound ID KEhCUQaqoSn
InChI InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-8H2,1-2H3
InChIKey QNZLAXONNWOLJY-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 FUSGon9LWSZ
Name Butanoic acid, 3-oxo-, hexyl ester
Alternate Name(s) Hexyl 3-oxobutanoate Hexyl acetoacetate 3-Oxobutanoic acid hexyl ester Hexyl 3-oxidanylidenebutanoate
CAS Registry Number 13562-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-8H2,1-2H3
InChIKey QNZLAXONNWOLJY-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(=O)(CC(=O)OCCCCCC)C
SPLASH splash10-0006-9100000000-aba1fcdf50d08977b35a
Source of Spectrum NP-3-3206-0
Wiley ID 1102510