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3,7-Diazabicyclo[3.3.1]nonane, 3,7-dichloro-2,4,6,8-tetrakis(4-methylphenyl)-, (2-endo,4-endo,6-exo,8-exo)-
SpectraBase Compound ID 4JUdNQ1SwXo
InChI InChI=1S/C35H36Cl2N2/c1-22-5-13-26(14-6-22)32-30-21-31(34(38(32)36)28-17-9-24(3)10-18-28)35(29-19-11-25(4)12-20-29)39(37)33(30)27-15-7-23(2)8-16-27/h5-20,30-35H,21H2,1-4H3/t30?,31?,32-,33-,34+,35+
InChIKey OBYGQICYWGKEJJ-REWAUSFUSA-N
Mol Weight 555.6 g/mol
Molecular Formula C35H36Cl2N2
Exact Mass 554.225555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TL2BKDPeM8
Name 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dichloro-2,4,6,8-tetrakis(4-methylphenyl)-, (2-endo,4-endo,6-exo,8-exo)-
CAS Registry Number 88365-70-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36Cl2N2
InChI InChI=1S/C35H36Cl2N2/c1-22-5-13-26(14-6-22)32-30-21-31(34(38(32)36)28-17-9-24(3)10-18-28)35(29-19-11-25(4)12-20-29)39(37)33(30)27-15-7-23(2)8-16-27/h5-20,30-35H,21H2,1-4H3/t30?,31?,32-,33-,34+,35+
InChIKey OBYGQICYWGKEJJ-REWAUSFUSA-N
Molecular Weight 555.593 g/mol
SMILES [C@]1(N([C@](C2[C@@](N([C@@](C1C2)(c1ccc(cc1)C)[H])Cl)(c1ccc(cc1)C)[H])(c1ccc(cc1)C)[H])Cl)(c1ccc(cc1)C)[H]
SPLASH splash10-05fr-0590000000-b6c5da492168cf28326e
Source of Spectrum K-116-3943-0
Synonyms (2R,4S,6S,8R)-3,7-dichloro-2,4,6,8-tetrakis(4-methylphenyl)-3,7-diazabicyclo[3.3.1]nonane rel-(2S,4R,6R,8S)-3,7-dichloro-2,4,6,8-tetrakis(4-methylphenyl)-3,7-diazabicyclo[3.3.1]nonane
Wiley ID 1406243