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4-Methyl-1-hexen-3-one
SpectraBase Compound ID 9fSIckYaTIs
InChI InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3
InChIKey PVBVVELBGISLBX-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 LRkDaB3jDLz
Name 4-methyl-1-hexen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3
InChIKey PVBVVELBGISLBX-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973/Waters GCT Premier
Ionization Type EI
Literature Reference DOI 10.1021/np4001569
Molecular Weight 112.172 g/mol
SMILES CC(C(C=C)=O)CC
SPLASH splash10-0a4i-9000000000-07838ebd98c83a264ec6
Source of Spectrum G4-76-SM8-3
Wiley ID 1865759