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

*Links on SpectraBase are not permalinks.
2,4,4-Trimethyl-1-penten-3-one
SpectraBase Compound ID AmEz9BngsNf
InChI InChI=1S/C8H14O/c1-6(2)7(9)8(3,4)5/h1H2,2-5H3
InChIKey BIDLAUQHNMVFGN-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 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 8D1ZNnMMHdi
Name 2,4,4-Trimethyl-1-penten-3-one
CAS Registry Number 7432-56-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-6(2)7(9)8(3,4)5/h1H2,2-5H3
InChIKey BIDLAUQHNMVFGN-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference W. Adam, M. Braun, A. Griesbeck, J. Am. Chem. Soc. 111, 203 (1989).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3