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

*Links on SpectraBase are not permalinks.

trans-5-Hepten-2-one

View entire compound with spectra: 2 NMR, and 4 MS (GC)

trans-5-Hepten-2-one
SpectraBase Compound ID Iapb9vCyT7c
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+
InChIKey RTYRONIMTRDBLT-ONEGZZNKSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID I64C1kVbuO0
Name trans-5-HEPTEN-2-ONE
Source of Sample D. E. Cane, P. J. Thomas J. Amer. Chem. Soc. 106, 5295 (1984)
CAS Registry Number 1071-94-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+
InChIKey RTYRONIMTRDBLT-ONEGZZNKSA-N
Molecular Weight 112.17
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-250
Synonyms 5-HEPTEN-2-ONE, trans-,