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5-methyl-1-hexen-3-one
SpectraBase Compound ID IGMOvIFNuq9
InChI InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey CMXNFXBFNYHFAL-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 GVhGk1zHv6k
Name 5-methyl-1-hexen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey CMXNFXBFNYHFAL-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(CC(C=C)=O)C
SPLASH splash10-0ab9-9000000000-905d7d2bc530ebd53b46
Source of Spectrum G4-76-SM8-2
Wiley ID 1865758