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4,4-Dimethyl-1-penten-3-one

View entire compound with spectra: 3 NMR, and 3 MS (GC)

4,4-Dimethyl-1-penten-3-one
SpectraBase Compound ID 5OjjSeBoSip
InChI InChI=1S/C7H12O/c1-5-6(8)7(2,3)4/h5H,1H2,2-4H3
InChIKey MUOKXXOKLLKNIE-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BgoBYzR6pe
Name 4,4-Dimethyl-1-penten-3-one
Alternate Name(s) 1-Penten-3-one, 4,4-dimethyl- 4,4-Dimethylpent-1-en-3-one
CAS Registry Number 2177-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-5-6(8)7(2,3)4/h5H,1H2,2-4H3
InChIKey MUOKXXOKLLKNIE-UHFFFAOYSA-N
Molecular Weight 112.172 g/mol
SMILES C(C(C)(C)C)(C=C)=O
SPLASH splash10-0a4i-9000000000-a30576fc4bdb689f8507
Source of Spectrum J-57-26-4
Wiley ID 1123528