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 LV63slGEsF5
Name Hept-5-en-2-one <6-methyl->
Source of Sample SAFC Cat.no. W270709
CAS Registry Number 110-93-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 126.104465070 u
Formula C8H14O
InChI InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
Molecular Weight 126.199 g/mol
Number of Peaks 50
RI1 986
RI2 658
RI3 746
RI4 701
RI5 966
SMILES CC(=CCCC(C)=O)C
SPLASH splash10-0006-9100000000-09e14e5e4dfd5d9b79ea
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 5-Hepten-2-one, 6-methyl-
Wiley ID LM_FFNSC3_675