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[2.2]-Barreleno(paracyclophane)dicarbonitrile
SpectraBase Compound ID IivJm5KJ5sa
InChI InChI=1S/C20H16N2/c21-11-19-17-10-16-8-6-14-2-1-13(3-4-14)5-7-15(17)9-18(16)20(19)12-22/h1-4,9-10,17-18H,5-8H2/t17-,18-/m0/s1
InChIKey JRBMUXDNAJDAIP-ROUUACIJSA-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 DnsjchDCvan
Name [2.2]-Barreleno(paracyclophane)dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2
InChI InChI=1S/C20H16N2/c21-11-19-17-10-16-8-6-14-2-1-13(3-4-14)5-7-15(17)9-18(16)20(19)12-22/h1-4,9-10,17-18H,5-8H2/t17-,18-/m0/s1
InChIKey JRBMUXDNAJDAIP-ROUUACIJSA-N
Molecular Weight 284.362 g/mol
SMILES C1(=C([C@@]2(C3=C[C@]1(C(=C2)CCc1ccc(CC3)cc1)[H])[H])C#N)C#N
SPLASH splash10-0udi-1960000000-d0c1a479632f00d34a12
Source of Spectrum U-1995-611-3
Synonyms Tetracyclo[12.2.2.0(4,9).0(6,11)]octadeca-1(16),4,7,10,14,17-hexaene-7,8-dicarbonitrile
Wiley ID 766602