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4,4-Dimethyl-2-cyclohexen-1-one

View entire compound with spectra: 95 NMR, 5 FTIR, 2 Raman, and 9 MS (GC)

4,4-Dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID 7R76SzJdGuR
InChI InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKey HAUNPYVLVAIUOO-UHFFFAOYSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iPLVINVODp
Name 4,4-Dimethyl-2-cyclohexen-1-one
CAS Registry Number 1073-13-8
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKey HAUNPYVLVAIUOO-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