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3-Heptanone

View entire compound with spectra: 14 NMR, 14 FTIR, 1 Raman, 26 MS (GC), and 2 Near IR

3-Heptanone
SpectraBase Compound ID LpDpVniVy74
InChI InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChIKey NGAZZOYFWWSOGK-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59UjC1bAuez
Name 3-HEPTANONE
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 114.104465070 u
Formula C7H14O
InChI InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChIKey NGAZZOYFWWSOGK-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
Nominal Mass 114 u
Number of Peaks 21
SMILES CCC(CCCC)=O
SPLASH splash10-0a6r-9000000000-a96e2fb0613c551aa30e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000307