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3-Azabicyclo[3.3.1]nonane, 3-chloro-2,4-bis(4-chlorophenyl)-6,8-diphenyl-, (2-endo,4-endo,6-exo,8-exo)-
SpectraBase Compound ID KQCm82StYWH
InChI InChI=1S/C32H28Cl3N/c33-25-15-11-23(12-16-25)31-29-20-30(32(36(31)35)24-13-17-26(34)18-14-24)28(22-9-5-2-6-10-22)19-27(29)21-7-3-1-4-8-21/h1-18,27-32H,19-20H2/t27-,28+,29+,30-,31-,32+
InChIKey USKMQTLVGULHIB-JQUHQKEMSA-N
Mol Weight 532.9 g/mol
Molecular Formula C32H28Cl3N
Exact Mass 531.128733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qquZZwtr4a
Name 3-Azabicyclo[3.3.1]nonane, 3-chloro-2,4-bis(4-chlorophenyl)-6,8-diphenyl-, (2-endo,4-endo,6-exo,8-exo)-
Alternate Name(s) (1R,2R,4S,5S,6S,8R)-3-chloro-2,4-bis(4-chlorophenyl)-6,8-diphenyl-3-azabicyclo[3.3.1]nonane rel-(1R,2R,4S,5S,6S,8R)-3-chloro-2,4-bis(4-chlorophenyl)-6,8-diphenyl-3-azabicyclo[3.3.1]nonane
CAS Registry Number 88365-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28Cl3N
InChI InChI=1S/C32H28Cl3N/c33-25-15-11-23(12-16-25)31-29-20-30(32(36(31)35)24-13-17-26(34)18-14-24)28(22-9-5-2-6-10-22)19-27(29)21-7-3-1-4-8-21/h1-18,27-32H,19-20H2/t27-,28+,29+,30-,31-,32+
InChIKey USKMQTLVGULHIB-JQUHQKEMSA-N
Molecular Weight 532.942 g/mol
SMILES [C@]1(N([C@]([C@]2([C@@](C[C@@]([C@@]1(C2)[H])(c1ccccc1)[H])(c1ccccc1)[H])[H])(c1ccc(cc1)Cl)[H])Cl)(c1ccc(cc1)Cl)[H]
SPLASH splash10-0udm-5928500000-c451e19baa2ea7337c0b
Source of Spectrum K-116-3942-0
Wiley ID 1403489