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TRANS-[1,2,3,4-(3-CH3)-(13)C(5)]-4-(DIETHYLPHOSPHONO)-3-METHYL-2-BUTENENITRILE
SpectraBase Compound ID JgoEnviMwIQ
InChI InChI=1S/C9H16NO3P/c1-4-12-14(11,13-5-2)8-9(3)6-7-10/h6H,4-5,8H2,1-3H3/b9-6-/i3+1,6+1,7+1,8+1,9+1
InChIKey OPUURRZDCJCVGT-YDWNHRGBSA-N
Mol Weight 222.17 g/mol
Molecular Formula C413C5H16NO3P
Exact Mass 222.103555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DVLgIfAroe
Name TRANS-[1,2,3,4-(3-CH3)-(13)C(5)]-4-(DIETHYLPHOSPHONO)-3-METHYL-2-BUTENENITRILE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C413C5H16NO3P
InChI InChI=1S/C9H16NO3P/c1-4-12-14(11,13-5-2)8-9(3)6-7-10/h6H,4-5,8H2,1-3H3/b9-6-/i3+1,6+1,7+1,8+1,9+1
InChIKey OPUURRZDCJCVGT-YDWNHRGBSA-N
Literature Reference Author A.F.L.CREEMERS,J.LUGTENBURG
Literature Reference Citation J.AM.CHEM.SOC.,124,6324(2002)
Literature Reference DOI 10.1021/ja012368h
Molecular Weight 222.166 g/mol
Sample ID 50442
Solvent CDCl3