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2-Octanone
SpectraBase Compound ID 5Fi5udRTGZ7
InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChIKey ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTPBlK3f2pb
Name Hexyl methyl ketone
Source of Sample SAFC Cat.no. W280208
CAS Registry Number 111-13-7
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 128.120115134 u
Formula C8H16O
InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChIKey ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
Number of Peaks 41
RI1 1843
RI5 1834
SMILES C(CCCCCC)(C)=O
SPLASH splash10-052f-9000000000-9b62caace23fbfc22a7a
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 2-Octanone
Wiley ID LM_FFNSC3_582