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2,2,3,3-Tetracyano-anti-tetracyclo-[4.4.1(1,4).1(7,10).0]-dodec-5-ene
SpectraBase Compound ID CCXbeMTnrWI
InChI InChI=1S/C16H12N4/c17-6-14(7-18)12-4-13-10-1-2-11(3-10)16(13,5-12)15(14,8-19)9-20/h4,10-12H,1-3,5H2/t10-,11+,12+,16-/m1/s1
InChIKey KIIXCFLMWLNTRG-KZTGVZKYSA-N
Mol Weight 260.3 g/mol
Molecular Formula C16H12N4
Exact Mass 260.106196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJSDvTrxqnu
Name 2,2,3,3-TETRACYANO-ANTI-TETRACYCLO-[4.4.1(1,4).1(7,10).0]-DODEC-5-ENE
CAS Registry Number 87556-20-5
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12N4
InChI InChI=1S/C16H12N4/c17-6-14(7-18)12-4-13-10-1-2-11(3-10)16(13,5-12)15(14,8-19)9-20/h4,10-12H,1-3,5H2/t10-,11+,12+,16-/m1/s1
InChIKey KIIXCFLMWLNTRG-KZTGVZKYSA-N
Literature Reference Author P.D.BARTLETT,C.WU
Literature Reference Citation J.ORG.CHEM.,49,1880(1984)
Literature Reference DOI 10.1021/jo00185a007
Molecular Weight 260.298 g/mol
Solvent CDCl3
Source File Reference UWGB552