cis-2-(Diphenylmethyl)-N-[(4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

SpectraBase Compound ID	5iOzfp37PvP
InChI	InChI=1S/C27H29ClN2/c28-24-13-11-20(12-14-24)19-29-26-23-15-17-30(18-16-23)27(26)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25-27,29H,15-19H2/t26-,27-/m1/s1
InChIKey	AVOBUSCWJGQAJM-KAYWLYCHSA-N Google Search
Mol Weight	417.0 g/mol
Molecular Formula	C27H29ClN2
Exact Mass	416.201927 g/mol

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SpectraBase Spectrum ID	8gCVTWP9Eq
Name	cis-2-(Diphenylmethyl)-N-[(4-chlorophenyl)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	416.201926642 u
Formula	C27H29ClN2
InChI	InChI=1S/C27H29ClN2/c28-24-13-11-20(12-14-24)19-29-26-23-15-17-30(18-16-23)27(26)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23,25-27,29H,15-19H2/t26-,27-/m1/s1
InChIKey	AVOBUSCWJGQAJM-KAYWLYCHSA-N
Molecular Weight	416.996 g/mol
SMILES	[C@]1(N2CCC([C@]1(NCC=1C=CC(=CC1)Cl)[H])CC2)(C(C1=CC=CC=C1)C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.850443