cis-2-[Bis(4-bromophenyl)methyl]-N-[3-(4-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

SpectraBase Compound ID	GHt1r89uhLf
InChI	InChI=1S/C28H30Br2N2O/c1-33-25-12-2-19(3-13-25)18-31-27-22-14-16-32(17-15-22)28(27)26(20-4-8-23(29)9-5-20)21-6-10-24(30)11-7-21/h2-13,22,26-28,31H,14-18H2,1H3/t27-,28-/m0/s1
InChIKey	OVGMUUGYZBHUJO-NSOVKSMOSA-N Google Search
Mol Weight	570.37 g/mol
Molecular Formula	C28H30Br2N2O
Exact Mass	568.07249 g/mol

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SpectraBase Spectrum ID	BOqHRwQ9oCy
Name	cis-2-[bis(4-Bromophenyl)methyl]-N-[3-(4-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	568.072489593 u
Formula	C28H30Br2N2O
InChI	InChI=1S/C28H30Br2N2O/c1-33-25-12-2-19(3-13-25)18-31-27-22-14-16-32(17-15-22)28(27)26(20-4-8-23(29)9-5-20)21-6-10-24(30)11-7-21/h2-13,22,26-28,31H,14-18H2,1H3/t27-,28-/m0/s1
InChIKey	OVGMUUGYZBHUJO-NSOVKSMOSA-N
Molecular Weight	570.369 g/mol
SMILES	[C@@]1(N2CCC([C@@]1(NCC1=CC=C(C=C1)OC)[H])CC2)(C(C1=CC=C(C=C1)Br)C1=CC=C(C=C1)Br)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.897406