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TRANS-2-ACETYL-4,5-DIDEUTERIOCYCLOHEXANONE
SpectraBase Compound ID 6X2mj2L5tj5
InChI InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3/i2D,3D/t2-,3-,7?/m0/s1
InChIKey OEKATORRSPXJHE-TVZWCGLFSA-N
Mol Weight 142.19 g/mol
Molecular Formula C8H102H2O2
Exact Mass 142.096283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cq8Ntad5Mlb
Name TRANS-2-ACETYL-4,5-DIDEUTERIOCYCLOHEXANONE
Compound Number 3-4,5-D2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H102H2O2
InChI InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3/i2D,3D/t2-,3-,7?/m0/s1
InChIKey OEKATORRSPXJHE-TVZWCGLFSA-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 142.194 g/mol
Sample ID 40612
Solvent CDCl3