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rel-(2S,4R,6R,8S)-2,4,6,8-Tetrakis(4-methylphenyl)-3,7-diazatricyclo[3.3.1.0(3,7)]nonane
SpectraBase Compound ID QanZnSta0F
InChI InChI=1S/C35H36N2/c1-22-5-13-26(14-6-22)32-30-21-31-34(28-17-9-24(3)10-18-28)36(32)37(33(30)27-15-7-23(2)8-16-27)35(31)29-19-11-25(4)12-20-29/h5-20,30-35H,21H2,1-4H3/t30-,31+,32-,33-,34+,35+
InChIKey KJUBEQWKIRKNAW-MWMQNTOKSA-N
Mol Weight 484.7 g/mol
Molecular Formula C35H36N2
Exact Mass 484.287849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUIdKgM6ipA
Name rel-(2S,4R,6R,8S)-2,4,6,8-Tetrakis(4-methylphenyl)-3,7-diazatricyclo[3.3.1.0(3,7)]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36N2
InChI InChI=1S/C35H36N2/c1-22-5-13-26(14-6-22)32-30-21-31-34(28-17-9-24(3)10-18-28)36(32)37(33(30)27-15-7-23(2)8-16-27)35(31)29-19-11-25(4)12-20-29/h5-20,30-35H,21H2,1-4H3/t30-,31+,32-,33-,34+,35+
InChIKey KJUBEQWKIRKNAW-MWMQNTOKSA-N
Molecular Weight 484.687 g/mol
SMILES [C@@]1(N2N3[C@]([C@]1(C[C@@]([C@]3(c1ccc(cc1)C)[H])([C@]2(c1ccc(cc1)C)[H])[H])[H])(c1ccc(cc1)C)[H])(c1ccc(cc1)C)[H]
SPLASH splash10-00di-0090000000-be8761da2921980331cb
Source of Spectrum K-116-3944-0
Synonyms (2R,4S,6S,8R)-2,4,6,8-tetrakis(4-methylphenyl)-3,7-diazatricyclo[3.3.1.0(3,7)]nonane
Wiley ID 1396221