SpectraBase Spectrum ID |
C2bU7B1fTGB |
Name |
alpha-Phenyl-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 |
295.170292160 u |
Formula |
C17H26ClNO |
InChI |
InChI=1S/C17H25NO.ClH/c19-17(16-4-2-1-3-5-16)10-11-18-12-14-6-7-15(13-18)9-8-14;/h1-5,14-15,17,19H,6-13H2;1H |
InChIKey |
BXOGHGBLLIDTHP-UHFFFAOYSA-N |
Molecular Weight |
295.854 g/mol |
SMILES |
OC(C1=CC=CC=C1)CCN1CC2CCC(C1)CC2.Cl |
Spectrum/Structure Validation Score (Raman) |
0.970832 |