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(2a.alpha.,3.alpha.,4.alpha.,4a.beta.,5.alpha.,10a.alpha.)-2,2a,3,4,4a,5-hexahydro-2,2,8-triphenyl-3,4,5-metheno-1H,7H-cyclobuta[2',3']cyclopenta[1',2':3,4]pyrazolo[1,2-a][1,2,4]triazole-7,9(8H)-dione
SpectraBase Compound ID 6h7kHycCNGY
InChI InChI=1S/C29H23N3O2/c33-26-30(19-14-8-3-9-15-19)27(34)32-29-16-28(17-10-4-1-5-11-17,18-12-6-2-7-13-18)25(29)22-20-21(22)24(23(20)29)31(26)32/h1-15,20-25H,16H2/t20-,21?,22-,23-,24-,25-,29-/m1/s1
InChIKey JSCVSNLNVWMUGL-LYPRNBSZSA-N
Mol Weight 445.52 g/mol
Molecular Formula C29H23N3O2
Exact Mass 445.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tByLgYdhl4
Name (2a.alpha.,3.alpha.,4.alpha.,4a.beta.,5.alpha.,10a.alpha.)-2,2a,3,4,4a,5-hexahydro-2,2,8-triphenyl-3,4,5-metheno-1H,7H-cyclobuta[2',3']cyclopenta[1',2':3,4]pyrazolo[1,2-a][1,2,4]triazole-7,9(8H)-dione
CAS Registry Number 124856-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23N3O2
InChI InChI=1S/C29H23N3O2/c33-26-30(19-14-8-3-9-15-19)27(34)32-29-16-28(17-10-4-1-5-11-17,18-12-6-2-7-13-18)25(29)22-20-21(22)24(23(20)29)31(26)32/h1-15,20-25H,16H2/t20-,21?,22-,23-,24-,25-,29-/m1/s1
InChIKey JSCVSNLNVWMUGL-LYPRNBSZSA-N
Molecular Weight 445.522 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@@]13[C@@]4([C@@]5(C([C@@]24[H])[C@@]5([C@]3([H])C(C1)(c1ccccc1)c1ccccc1)[H])[H])[H])=O
SPLASH splash10-014i-2940100000-53116412621e436c9236
Source of Spectrum K-123-1203-2
Synonyms (1S,7R,8R,9S,11R,12R)-4,13,13-triphenyl-2,4,6-triazahexacyclo[6.6.0.0(1,12).0(2,6).0(7,10).0(9,11)]tetradecane-3,5-dione
Wiley ID 1386409