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9,10-Ethenoanthracene-2,2,3,3,6,6,7,7(1H,4H)-octacarbonitrile, 5,8,9,10-tetrahydro-11-methyl-
SpectraBase Compound ID 4yMPeeAJYVV
InChI InChI=1S/C25H14N8/c1-15-2-16-17-3-22(7-26,8-27)24(11-30,12-31)5-19(17)21(15)20-6-25(13-32,14-33)23(9-28,10-29)4-18(16)20/h2,16,21H,3-6H2,1H3/t16-,21+
InChIKey RWWKOJJXPDOUTM-NBEIKUQISA-N
Mol Weight 426.44 g/mol
Molecular Formula C25H14N8
Exact Mass 426.134142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OEiu56CSH9
Name 9,10-Ethenoanthracene-2,2,3,3,6,6,7,7(1H,4H)-octacarbonitrile, 5,8,9,10-tetrahydro-11-methyl-
Alternate Name(s) 15-Methyltetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2(7),9(14),15-triene-4,4,5,5,11,11,12,12-octacarbonitrile
CAS Registry Number 107784-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H14N8
InChI InChI=1S/C25H14N8/c1-15-2-16-17-3-22(7-26,8-27)24(11-30,12-31)5-19(17)21(15)20-6-25(13-32,14-33)23(9-28,10-29)4-18(16)20/h2,16,21H,3-6H2,1H3/t16-,21+
InChIKey RWWKOJJXPDOUTM-NBEIKUQISA-N
Molecular Weight 426.443 g/mol
SMILES C12=C([C@]3(C4=C([C@@]2(C=C3C)[H])CC(C(C#N)(C#N)C4)(C#N)C#N)[H])CC(C(C1)(C#N)C#N)(C#N)C#N
SPLASH splash10-106r-6790200000-26f0af5af59419b0461d
Source of Spectrum H-69-1319-16
Wiley ID 1379986