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2-ACETYL-3,3-DIDEUTERIOCYCLOHEXANONE+2-ACETYL-3-DEUTERIOCYCLOHEXANONE;MIXTURE
SpectraBase Compound ID BmhvDV5b9CM
InChI InChI=1S/2C8H12O2/c2*1-6(9)7-4-2-3-5-8(7)10/h2*7H,2-5H2,1H3/i4D2;4D
InChIKey KLGSVXNZPPIPFD-NWHRCQNVSA-N
Mol Weight 283.38 g/mol
Molecular Formula C16H212H3O4
Exact Mass 283.186289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ucllHXhVzp
Name 2-ACETYL-3,3-DIDEUTERIOCYCLOHEXANONE+2-ACETYL-3-DEUTERIOCYCLOHEXANONE;MIXTURE
Compound Number 3-3,3-D2+3-3-D1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H212H3O4
InChI InChI=1S/2C8H12O2/c2*1-6(9)7-4-2-3-5-8(7)10/h2*7H,2-5H2,1H3/i4D2;4D
InChIKey KLGSVXNZPPIPFD-NWHRCQNVSA-N
Literature Reference Author H.QIAN,R.A.WIDENHOEFER
Literature Reference Citation J.AM.CHEM.SOC.,125,2056(2003)
Literature Reference DOI 10.1021/ja0293002
Molecular Weight 283.383 g/mol
Sample ID 40610
Solvent CDCl3