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3,3-Dimethyl-cyclohexanone
SpectraBase Compound ID EZUh2pjObhn
InChI InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
InChIKey ZVJQBBYAVPAFLX-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

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SpectraBase Spectrum ID 5MzHbQB7AoN
Name 3,3-Dimethyl-cyclohexanone
CAS Registry Number 2979-19-3
Comments C6-LINE IS CHANGED FROM 29.9 PPM TO 39.9 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
InChIKey ZVJQBBYAVPAFLX-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference Helv. Chim. Acta 58, 1567 (1975).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported