For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Heptanone

View entire compound with spectra: 17 NMR, 15 FTIR, 2 Raman, 22 MS (GC), and 2 Near IR

4-Heptanone
SpectraBase Compound ID HbVbyzrnP8C
InChI InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
InChIKey HCFAJYNVAYBARA-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2dwIeXADd2R
Name 4-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/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
InChIKey HCFAJYNVAYBARA-UHFFFAOYSA-N
Molecular Weight 114.188 g/mol
Nominal Mass 114 u
Number of Peaks 15
SMILES C(CC(CCC)=O)C
SPLASH splash10-00dl-9000000000-de18f58beb446a90ae6a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000316