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4,4-Dimethyl-2-pentanone
SpectraBase Compound ID JqciRhCpcxi
InChI InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
InChIKey AZASWMGVGQEVCS-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UWizdrqpm
Name 2-Pentanone, 4,4-dimethyl-
CAS Registry Number 590-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
InChIKey AZASWMGVGQEVCS-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
SMILES CC(CC(C)=O)(C)C
SPLASH splash10-052f-9000000000-071fd5ae746a39a2aced
Source of Spectrum NW-122-0-0
Synonyms 4,4-Dimethyl-2-pentanone 4,4-Dimethylpentan-2-one Methyl neoamyl ketone Methyl neopentyl ketone neo-C5H11COCH3 Neopentyl methyl ketone EINECS 209-685-2
Wiley ID 1124685