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9,10-Methanoanthracene-2,2,3,3,6,6,7,7-octacarbonitrile, 1,4,5,8,9,10-hexahydro-11-hydroxy-11-(1-methylethenyl)-
SpectraBase Compound ID Lpxg9owHjwT
InChI InChI=1S/C26H16N8O/c1-15(2)26(35)20-16-3-22(7-27,8-28)23(9-29,10-30)4-17(16)21(26)19-6-25(13-33,14-34)24(11-31,12-32)5-18(19)20/h20-21,35H,1,3-6H2,2H3/t20-,21+,26?
InChIKey HJMQFNVRXMHGNI-CPLAMXDQSA-N
Mol Weight 456.47 g/mol
Molecular Formula C26H16N8O
Exact Mass 456.144707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qR600v9Tbb
Name 9,10-Methanoanthracene-2,2,3,3,6,6,7,7-octacarbonitrile, 1,4,5,8,9,10-hexahydro-11-hydroxy-11-(1-methylethenyl)-
Alternate Name(s) 15-Hydroxy-15-(propen-2'-yl)tetracyclo[6.6.1.0(2,7).0(9,14)]pentadeca-2(7),9(14)-diene-4,4,5,5,11,11,12,12-octacarbonitrile 15-hydroxy-15-isopropenyltetracyclo[6.6.1.0(2,7).0(9,14)]pentadeca-2(7),9(14)-diene-4,4,5,5,11,11,12,12-octacarbonitrile
CAS Registry Number 120608-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H16N8O
InChI InChI=1S/C26H16N8O/c1-15(2)26(35)20-16-3-22(7-27,8-28)23(9-29,10-30)4-17(16)21(26)19-6-25(13-33,14-34)24(11-31,12-32)5-18(19)20/h20-21,35H,1,3-6H2,2H3/t20-,21+,26?
InChIKey HJMQFNVRXMHGNI-CPLAMXDQSA-N
Molecular Weight 456.469 g/mol
SMILES OC1([C@]2(C3=C(CC(C(C3)(C#N)C#N)(C#N)C#N)[C@@]1(C1=C2CC(C(C#N)(C#N)C1)(C#N)C#N)[H])[H])C(=C)C
SPLASH splash10-0aba-9260200000-c719a988893515cd84a2
Source of Spectrum H-71-1279-36
Wiley ID 1389313