For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-Methyl-5-hepten-2-one
SpectraBase Compound ID ly0hJBX17N
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3D6CEn1gcwq
Name 6-methyl-5-hepten-2-one
Carrier Gas (1.2 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 126.104465070 u
Formula C8H14O
GC Column VF-Wax (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name Agilent 7890 A
Ionization Type EI
Literature Reference DOI 10.1021/acs.analchem.1c02719
Molecular Weight 126.199 g/mol
Quality 854
SMILES CC(=CCCC(C)=O)C
SPLASH splash10-0006-9000000000-ab604711216f54b8db79
Source of Spectrum E-94-SM5-Figure S3 (DOI: 10.1021/acs.analchem.1c02719)
Wiley ID 1911086