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2-[(2S,3S,5R)-3-(dicyanomethyl)-5-isopropenyl-2-methyl-cyclohexylidene]malononitrile
SpectraBase Compound ID ICe7dU1yYc1
InChI InChI=1S/C16H16N4/c1-10(2)12-4-15(13(6-17)7-18)11(3)16(5-12)14(8-19)9-20/h11-13,15H,1,4-5H2,2-3H3/t11-,12+,15-/m0/s1
InChIKey RYXGUPQXCGZTQJ-ZOWXZIJZSA-N
Mol Weight 264.33 g/mol
Molecular Formula C16H16N4
Exact Mass 264.137497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFCm1rg9ajS
Name 2-[(2S,3S,5R)-3-(dicyanomethyl)-5-isopropenyl-2-methyl-cyclohexylidene]malononitrile
Compound Number XI-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N4
InChI InChI=1S/C16H16N4/c1-10(2)12-4-15(13(6-17)7-18)11(3)16(5-12)14(8-19)9-20/h11-13,15H,1,4-5H2,2-3H3/t11-,12+,15-/m0/s1
InChIKey RYXGUPQXCGZTQJ-ZOWXZIJZSA-N
Literature Reference Author K.P.VOLCHO,E.V.SUSLOV,S.Y.KURBAKOVA,D.V.KORCHAGINA,N.F.SALAK HUTDINOV,V.A.BARKHAS
Literature Reference Citation RUSS.J.ORG.CHEM.,40,659(2004)
Literature Reference DOI 10.1023/B:RUJO.0000043711.62424.ba
Molecular Weight 264.330 g/mol
Solvent CDCl3:CCl4=1:1
Source File Reference UWMZ16767