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Pinacolone
SpectraBase Compound ID KrlmDP4gYvI
InChI InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChIKey PJGSXYOJTGTZAV-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fK5NBWb2Lf
Name 3,3-Dimethyl-butanone-2
CAS Registry Number 75-97-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChIKey PJGSXYOJTGTZAV-UHFFFAOYSA-N
Instrument Name Special
Literature Reference G.E. Hawkes, K. Herwig, J.D. Roberts, J. Org. Chem. 39, 1017 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3