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3-Hexanone

View entire compound with spectra: 12 NMR, 7 FTIR, 1 Raman, 18 MS (GC), and 2 Near IR

3-Hexanone
SpectraBase Compound ID KClms6SMC3Y
InChI InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlpNWLKqoVc
Name 3-HEXANONE
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 100.088815005 u
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
Molecular Weight 100.161 g/mol
Nominal Mass 100 u
Number of Peaks 24
SMILES CCC(CCC)=O
SPLASH splash10-056u-9000000000-aae0191b29f08e0756b5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000318