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Methyl-(3Z)-hexen-2-one<5->
SpectraBase Compound ID GGBAbuQn6UZ
InChI InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4-
InChIKey IYMKNYVCXUEFJE-PLNGDYQASA-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 FgSdRaQKj9C
Name 5-Methyl-(3Z)-hexen-2-one
CAS Registry Number 1669-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4-
InChIKey IYMKNYVCXUEFJE-PLNGDYQASA-N
Molecular Weight 112.172 g/mol
SMILES CC(\C=C/C(C)C)=O
SPLASH splash10-0006-9100000000-e561bb890e0d277c5dc2
Source ex BEDOUKIAN CHEM (SMALL PEAK) ex JJ BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Methyl-(3Z)-hexen-2-one<5->
Wiley ID 1886725