| SpectraBase Spectrum ID |
H1fgeWIgGKI |
| Name |
alpha-(3-Azabicyclo[3.2.2]non-3-yl)-4-chloro-o-cresol, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.100019699 u |
| Formula |
C15H21Cl2NO |
| InChI |
InChI=1S/C15H20ClNO.ClH/c16-14-5-6-15(18)13(7-14)10-17-8-11-1-2-12(9-17)4-3-11;/h5-7,11-12,18H,1-4,8-10H2;1H |
| InChIKey |
PIXNTBSJXPADKP-UHFFFAOYSA-N |
| Molecular Weight |
302.245 g/mol |
| SMILES |
Cl.OC=1C(=CC(=CC1)Cl)CN1CC2CCC(CC2)C1 |
| Spectrum/Structure Validation Score (Raman) |
0.973826 |
![alpha-(3-Azabicyclo[3.2.2]non-3-yl)-4-chloro-o-cresol, hydrochloride](/api/spectrum/H1fgeWIgGKI/structure.png?h=300&w=458 "alpha-(3-Azabicyclo[3.2.2]non-3-yl)-4-chloro-o-cresol, hydrochloride")
