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Hexanoic acid, 5,5-dimethyl-3-oxo-, ethyl ester
SpectraBase Compound ID GWPGxFBh39a
InChI InChI=1S/C10H18O3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h5-7H2,1-4H3
InChIKey PVBDWJORUZWRDN-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 2hVQC0Axnkk
Name Hexanoic acid, 5,5-dimethyl-3-oxo-, ethyl ester
CAS Registry Number 5435-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h5-7H2,1-4H3
InChIKey PVBDWJORUZWRDN-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(=O)(CC(OCC)=O)CC(C)(C)C
SPLASH splash10-003u-9700000000-3f6fe5a460f05592e71a
Source of Spectrum T-68-2012-0
Synonyms 3-Keto-5,5-dimethyl-hexanoic acid ethyl ester 5,5-Dimethyl-3-oxohexanoic acid ethyl ester Ethyl 5,5-dimethyl-3-oxidanylidene-hexanoate Ethyl 5,5-dimethyl-3-oxo-hexanoate Ethyl 5,5-dimethyl-3-oxohexanoate
Wiley ID 19799