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2-Oxocanone-3,3,8,8-D4
SpectraBase Compound ID B2aOGHAKXBW
InChI InChI=1S/C7H12O2/c8-7-5-3-1-2-4-6-9-7/h1-6H2/i5D2,6D2
InChIKey BTLSLHNLDQCWKS-NZLXMSDQSA-N
Mol Weight 132.2 g/mol
Molecular Formula C7H8D4O2
Exact Mass 132.108837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yfN6lQ3Bh
Name 2-OXOCANONE-3,3,8,8-D4
CAS Registry Number 137435-12-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H82H4O2
InChI InChI=1S/C7H12O2/c8-7-5-3-1-2-4-6-9-7/h1-6H2/i5D2,6D2
InChIKey BTLSLHNLDQCWKS-NZLXMSDQSA-N
Literature Reference Author W.L.MEYER,P.W.TAYLOR,S.A.REED,M.C.LEISTER,H.J.SCHNEIDER,G.SC HMIDT,F.E.EVANS,R.A.
Literature Reference Citation J.ORG.CHEM.,57,291(1992)
Literature Reference DOI 10.1021/jo00027a051
Molecular Weight 132.196 g/mol
Solvent CDCl3
Source File Reference UWCS999