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3,6,6-trimethyl-2-cyclohexen-1-one

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3,6,6-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID 6v1CelxKzVl
InChI InChI=1S/C9H14O/c1-7-4-5-9(2,3)8(10)6-7/h6H,4-5H2,1-3H3
InChIKey DKUDUXARZQESDM-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DpmGTx4hYKM
Name 3,6,6-Trimethylcyclohex-2-en-1-on
CAS Registry Number 23438-77-9
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-7-4-5-9(2,3)8(10)6-7/h6H,4-5H2,1-3H3
InChIKey DKUDUXARZQESDM-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference J. Org. Chem. 46, 1515 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3