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

SpectraBase Compound ID	EzxbwyrJhfz
InChI	InChI=1S/C28H32N2O/c1-31-25-14-12-21(13-15-25)20-29-27-24-16-18-30(19-17-24)28(27)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24,26-29H,16-20H2,1H3/t27-,28-/m1/s1
InChIKey	YSLVLJLBAALQJN-VSGBNLITSA-N Google Search
Mol Weight	412.6 g/mol
Molecular Formula	C28H32N2O
Exact Mass	412.251464 g/mol

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SpectraBase Spectrum ID	8iHhEhtpIxz
Name	cis-2-(Diphenylmethyl)-N-[(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	412.251463657 u
Formula	C28H32N2O
InChI	InChI=1S/C28H32N2O/c1-31-25-14-12-21(13-15-25)20-29-27-24-16-18-30(19-17-24)28(27)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24,26-29H,16-20H2,1H3/t27-,28-/m1/s1
InChIKey	YSLVLJLBAALQJN-VSGBNLITSA-N
Molecular Weight	412.577 g/mol
SMILES	[C@]1(N2CCC([C@]1(NCC=1C=CC(=CC1)OC)[H])CC2)(C(C=1C=CC=CC1)C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.837938