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(E)-7,8-DIDEUTERIO-7-OCTENE-2,4-DIONE+(E)-7,8,8-TRIDEUTERIO-7-OCTENE-2,4-DIONE;MIXTURE
SpectraBase Compound ID IxguofZYY50
InChI InChI=1S/2C8H12O2/c2*1-3-4-5-8(10)6-7(2)9/h2*3H,1,4-6H2,2H3/i1D2,3D;1D,3D/b;3-1+
InChIKey TVSMQFMEJDRGOQ-YRUKKVBASA-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 DK8VJEcELbQ
Name (E)-7,8-DIDEUTERIO-7-OCTENE-2,4-DIONE+(E)-7,8,8-TRIDEUTERIO-7-OCTENE-2,4-DIONE;MIXTURE
Compound Number 1-7,8-D2+1-7,8,8-D3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H192H5O4
InChI InChI=1S/2C8H12O2/c2*1-3-4-5-8(10)6-7(2)9/h2*3H,1,4-6H2,2H3/i1D2,3D;1D,3D/b;3-1+
InChIKey TVSMQFMEJDRGOQ-YRUKKVBASA-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 40601
Solvent CDCl3