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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 BlTfJIMKaeB
Name 2-Octanone
Appearance Clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800531
Molecular Weight 128.215 g/mol
Quality 179
SMILES CC(CCCCCC)=O
SPLASH splash10-0a4i-9000000000-b04d7f26e847309f2a35
Source of Spectrum QE-24-SM17-37 (DOI: 10.1002/chem.201800531)
Wiley ID 1901442