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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-hydroxy-1-methylethyl)-
SpectraBase Compound ID AIOf13m8j2X
InChI InChI=1S/C26H18N8O2/c1-21(2,35)26(36)19-15-3-22(7-27,8-28)23(9-29,10-30)4-16(15)20(26)18-6-25(13-33,14-34)24(11-31,12-32)5-17(18)19/h19-20,35-36H,3-6H2,1-2H3/t19-,20+,26?
InChIKey MGJQAPVIOCKZCU-NJEHHLDASA-N
Mol Weight 474.48 g/mol
Molecular Formula C26H18N8O2
Exact Mass 474.155272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAlrerpOf92
Name 9,10-Methanoanthracene-2,2,3,3,6,6,7,7-octacarbonitrile, 1,4,5,8,9,10-hexahydro-11-hydroxy-11-(1-hydroxy-1-methylethyl)-
CAS Registry Number 120567-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18N8O2
InChI InChI=1S/C26H18N8O2/c1-21(2,35)26(36)19-15-3-22(7-27,8-28)23(9-29,10-30)4-16(15)20(26)18-6-25(13-33,14-34)24(11-31,12-32)5-17(18)19/h19-20,35-36H,3-6H2,1-2H3/t19-,20+,26?
InChIKey MGJQAPVIOCKZCU-NJEHHLDASA-N
Molecular Weight 474.484 g/mol
SMILES OC(C1([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])O)(C)C
SPLASH splash10-0a4i-4104900000-6e32de6576091eb2c2cd
Source of Spectrum H-71-1279-37
Synonyms 15-hydroxy-15-(1-hydroxy-1-methylethyl)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-(2'-hydroxypropan-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
Wiley ID 1393851