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[2.2]-Semibullvaleno(paracycophane)dicarbonitrile
SpectraBase Compound ID HCNrpxvspNZ
InChI InChI=1S/C20H16N2/c21-10-15-16(11-22)19-18-14-6-5-12-1-3-13(4-2-12)7-8-20(18,19)17(15)9-14/h1-4,9,17-19H,5-8H2/t17-,18+,19-,20+/m1/s1
InChIKey ZJVJLTVDDVQJMX-WCIQWLHISA-N
Mol Weight 284.36 g/mol
Molecular Formula C20H16N2
Exact Mass 284.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lFaQ7BbJ6o
Name [2.2]-Semibullvaleno(paracycophane)dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2
InChI InChI=1S/C20H16N2/c21-10-15-16(11-22)19-18-14-6-5-12-1-3-13(4-2-12)7-8-20(18,19)17(15)9-14/h1-4,9,17-19H,5-8H2/t17-,18+,19-,20+/m1/s1
InChIKey ZJVJLTVDDVQJMX-WCIQWLHISA-N
Molecular Weight 284.362 g/mol
SMILES [C@]123[C@@]4(C(C#N)=C([C@]3(C=C([C@]14[H])CCc1ccc(CC2)cc1)[H])C#N)[H]
SPLASH splash10-0udi-1930000000-f22f5669d0da907d09d4
Source of Spectrum U-1995-612-4
Synonyms Pentacyclo[12.2.2.0(4,6).0(4,9).0(5,11)]octadeca-1(16),7,10,14,17-pentaene-7,8-dicarbonitrile [2.2]-Semibullvaleno(paracyclophane)dicarbonitrile
Wiley ID 766600