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1,2-bis{2'-Cyano-5',6' : 7',8'-dibenzobicyclo[2.2.2]oct-2'-enyl}-acetylene
SpectraBase Compound ID BwXmbWVqTPt
InChI InChI=1S/C36H20N2/c37-21-23-19-29-25-9-1-5-13-31(25)35(23,32-14-6-2-10-26(29)32)17-18-36-24(22-38)20-30(27-11-3-7-15-33(27)36)28-12-4-8-16-34(28)36/h1-16,19-20,29-30H/t29-,30-,35+,36+
InChIKey FIWZFGWXJDADOE-CSIVKGRCSA-N
Mol Weight 480.6 g/mol
Molecular Formula C36H20N2
Exact Mass 480.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ajgpfNhhNt
Name 1,2-bis{2'-Cyano-5',6' : 7',8'-dibenzobicyclo[2.2.2]oct-2'-enyl}-acetylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H20N2
InChI InChI=1S/C36H20N2/c37-21-23-19-29-25-9-1-5-13-31(25)35(23,32-14-6-2-10-26(29)32)17-18-36-24(22-38)20-30(27-11-3-7-15-33(27)36)28-12-4-8-16-34(28)36/h1-16,19-20,29-30H/t29-,30-,35+,36+
InChIKey FIWZFGWXJDADOE-CSIVKGRCSA-N
Molecular Weight 480.570 g/mol
SMILES [C@]12(C(=C[C@](c3c2cccc3)(c2c1cccc2)[H])C#N)C#C[C@]12C(=C[C@@](c3c2cccc3)(c2c1cccc2)[H])C#N
SPLASH splash10-017j-0900100000-2d9598f6afa15b050133
Source of Spectrum U1-1999-2499-29
Wiley ID 753682