(2R,3R,3as,7as)-1-Benzyl-2,3-diphenylperhydro-4,7-ethanopyrrolo[3,2-B]pyridine

SpectraBase Compound ID	KeUS7EexxFe
InChI	InChI=1S/C28H30N2/c1-4-10-21(11-5-1)20-30-26(23-14-8-3-9-15-23)25(22-12-6-2-7-13-22)28-27(30)24-16-18-29(28)19-17-24/h1-15,24-28H,16-20H2/t25-,26+,27+,28+/m1/s1
InChIKey	MLMFIVYUQGSNEE-UNFRKHOWSA-N Google Search
Mol Weight	394.56 g/mol
Molecular Formula	C28H30N2
Exact Mass	394.240899 g/mol

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SpectraBase Spectrum ID	ARfbZQM1YFh
Name	(2R,3R,3as,7as)-1-Benzyl-2,3-diphenylperhydro-4,7-ethanopyrrolo[3,2-B]pyridine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	394.240898974 u
Formula	C28H30N2
InChI	InChI=1S/C28H30N2/c1-4-10-21(11-5-1)20-30-26(23-14-8-3-9-15-23)25(22-12-6-2-7-13-22)28-27(30)24-16-18-29(28)19-17-24/h1-15,24-28H,16-20H2/t25-,26+,27+,28+/m1/s1
InChIKey	MLMFIVYUQGSNEE-UNFRKHOWSA-N
Molecular Weight	394.562 g/mol
SMILES	[C@@]1(N([C@@]2([C@]([C@@]1(C1=CC=CC=C1)[H])(N1CCC2CC1)[H])[H])CC=1C=CC=CC1)(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.846598