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2-Octanone

View entire compound with spectra: 13 NMR, 12 FTIR, 1 Raman, 38 MS (GC), and 2 Near IR

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 JYRvPZhC8np
Name 2-OCTANONE
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
Nominal Mass 128 u
Number of Peaks 21
SMILES CC(=O)CCCCCC
SPLASH splash10-052f-9000000000-3e276c328cce38702064
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000317