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[2.2]-Doublebarreleno(tetracarbonitrile)
SpectraBase Compound ID 32IX6czgXAe
InChI InChI=1S/C24H16N4/c25-9-21-17-7-15-3-4-16-8-19-14(6-20(16)24(12-28)23(19)11-27)2-1-13(17)5-18(15)22(21)10-26/h5-8,17-20H,1-4H2/t17-,18-,19+,20+
InChIKey CAOCELSRSFWEFP-XLLXOSNRSA-N
Mol Weight 360.42 g/mol
Molecular Formula C24H16N4
Exact Mass 360.137497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RScaWNzk68
Name [2.2]-Doublebarreleno(tetracarbonitrile)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16N4
InChI InChI=1S/C24H16N4/c25-9-21-17-7-15-3-4-16-8-19-14(6-20(16)24(12-28)23(19)11-27)2-1-13(17)5-18(15)22(21)10-26/h5-8,17-20H,1-4H2/t17-,18-,19+,20+
InChIKey CAOCELSRSFWEFP-XLLXOSNRSA-N
Molecular Weight 360.420 g/mol
SMILES C1(=C([C@@]2(C3=C[C@]1(C(=C2)CCC=1[C@@]2(C(C#N)=C([C@@](C(CC3)=C2)(C1)[H])C#N)[H])[H])[H])C#N)C#N
SPLASH splash10-0zfu-0931000000-7a0eb8c78088cc38948c
Source of Spectrum U-1995-611-5
Synonyms Pentacyclo[14.4.0.0(3,18).0(6,11).0(8,13)]icosa-2,6,9,12,16,19-hexaene-9,10,19,20-tetracarbonitrile
Wiley ID 766601