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3-keto-4,4-dimethyl-valeric acid propyl ester
SpectraBase Compound ID 8DjhaMBB4Ya
InChI InChI=1S/C10H18O3/c1-5-6-13-9(12)7-8(11)10(2,3)4/h5-7H2,1-4H3
InChIKey LPHBJOLNSOETKW-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 JWrCWnLIjaw
Name 3-keto-4,4-dimethyl-valeric acid propyl ester
CAS Registry Number 77067-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-5-6-13-9(12)7-8(11)10(2,3)4/h5-7H2,1-4H3
InChIKey LPHBJOLNSOETKW-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(CC(OCCC)=O)(=O)C(C)(C)C
SPLASH splash10-0bvl-9100000000-785c6bb165a4296b9fe8
Source of Spectrum 0-16-196-1
Synonyms 4,4-Dimethyl-3-oxopentanoic acid propyl ester Propyl 4,4-dimethyl-3-oxidanylidene-pentanoate Propyl 4,4-dimethyl-3-oxo-pentanoate
Wiley ID 1182755