alpha-BENZYL-alpha-p-TOLYL-3-AZABICYCLO[3.2.2]NONANE-3-PROPANOL, HYDROCHLORIDE

SpectraBase Compound ID	CnU9yUMyWy5
InChI	InChI=1S/C25H33NO.ClH/c1-20-7-13-24(14-8-20)25(27,17-21-5-3-2-4-6-21)15-16-26-18-22-9-10-23(19-26)12-11-22;/h2-8,13-14,22-23,27H,9-12,15-19H2,1H3;1H
InChIKey	KMZSNJMZCXGLKW-UHFFFAOYSA-N Google Search
Mol Weight	400.01 g/mol
Molecular Formula	C25H34ClNO
Exact Mass	399.232892 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7L9AGVPpPmj
Name	A-Benzyl-A-p-tolyl-3-azabicyclo[3.2.2]nonane-3-propanol, hydrochloride
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	399.232892418 u
Formula	C25H34ClNO
InChI	InChI=1S/C25H33NO.ClH/c1-20-7-13-24(14-8-20)25(27,17-21-5-3-2-4-6-21)15-16-26-18-22-9-10-23(19-26)12-11-22;/h2-8,13-14,22-23,27H,9-12,15-19H2,1H3;1H
InChIKey	KMZSNJMZCXGLKW-UHFFFAOYSA-N
Molecular Weight	400.006 g/mol
SMILES	Cl.OC(CC1=CC=CC=C1)(CCN1CC2CCC(CC2)C1)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Raman)	0.957542