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CIS-2-ACETYL-3,4-DIDEUTERIOCYCLOHEXANONE+3,3,4-TRIDEUTERIOCYCLOHEXANONE;MIXTURE
SpectraBase Compound ID Khjwsrzwx94
InChI InChI=1S/2C8H12O2/c2*1-6(9)7-4-2-3-5-8(7)10/h2*7H,2-5H2,1H3/i2D,4D2;2D,4D/t;2-,4-,7?/m.0/s1
InChIKey KLGSVXNZPPIPFD-RMLARUCUSA-N
Mol Weight 285.39 g/mol
Molecular Formula C16H192H5O4
Exact Mass 285.198843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DV6qXdeKeWq
Name CIS-2-ACETYL-3,4-DIDEUTERIOCYCLOHEXANONE+3,3,4-TRIDEUTERIOCYCLOHEXANONE;MIXTURE
Compound Number 3-3,4-D2+3-3,3 ,4-D3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H192H5O4
InChI InChI=1S/2C8H12O2/c2*1-6(9)7-4-2-3-5-8(7)10/h2*7H,2-5H2,1H3/i2D,4D2;2D,4D/t;2-,4-,7?/m.0/s1
InChIKey KLGSVXNZPPIPFD-RMLARUCUSA-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 285.395 g/mol
Sample ID 40607
Solvent CDCl3