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2,6-Azo-3,4,5-methenocycloprop[f]indene, 1,1a,2,2a,3,4,5,5a,6,6a-decahydro-2,6-di-2-pyridinyl-, (1a.alpha.,2.beta.,2a.alpha.,5a.alpha.,6.beta.,6a.alpha.)-
SpectraBase Compound ID Kglbh8PvTzi
InChI InChI=1S/C21H18N4/c1-3-7-22-12(5-1)20-10-9-11(10)21(25-24-20,13-6-2-4-8-23-13)19-17-14-15(17)16(14)18(19)20/h1-8,10-11,14-19H,9H2/t10-,11+,14+,15?,16+,17-,18+,19-,20-,21+
InChIKey UFYYCZNPLYEREX-XKCMMQMASA-N
Mol Weight 326.4 g/mol
Molecular Formula C21H18N4
Exact Mass 326.153147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZaA1ZbaeMg
Name 2,6-Azo-3,4,5-methenocycloprop[f]indene, 1,1a,2,2a,3,4,5,5a,6,6a-decahydro-2,6-di-2-pyridinyl-, (1a.alpha.,2.beta.,2a.alpha.,5a.alpha.,6.beta.,6a.alpha.)-
CAS Registry Number 115756-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4
InChI InChI=1S/C21H18N4/c1-3-7-22-12(5-1)20-10-9-11(10)21(25-24-20,13-6-2-4-8-23-13)19-17-14-15(17)16(14)18(19)20/h1-8,10-11,14-19H,9H2/t10-,11+,14+,15?,16+,17-,18+,19-,20-,21+
InChIKey UFYYCZNPLYEREX-XKCMMQMASA-N
Molecular Weight 326.403 g/mol
SMILES [C@]12([C@]3([C@]([H])(C3)[C@](N=N1)(c1ncccc1)[C@@]1([C@]3([H])[C@@]4([C@@](C34)([C@]21[H])[H])[H])[H])[H])c1ncccc1
SPLASH splash10-016r-4290000000-c179c971d00e9567f15a
Source of Spectrum K-121-1678-3
Synonyms (1a.alpha.,2.beta.,2a.alpha.,3.beta.,4.beta.,5.beta.,5a.alpha.,6.beta.,6a.alpha.)-decahydro-2,6-bis(2-pyridyl)-2,6-azo-3,4,5-methenocyclopropa[f]indene (1R,2S,7R,8S,9S,11R)-1,8-di(2-pyridinyl)-12,13-diazahexacyclo[6.3.2.0(2,7).0(3,5).0(4,6).0(9,11)]tridec-12-ene
Wiley ID 1325073