| SpectraBase Spectrum ID |
FbBD3XhuiNz |
| Name |
3-(3-Azabicyclo[3.2.2]non-3-yl)-2',5'-dimethylpropiophenone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.185942225 u |
| Formula |
C19H28ClNO |
| InChI |
InChI=1S/C19H27NO.ClH/c1-14-3-4-15(2)18(11-14)19(21)9-10-20-12-16-5-6-17(13-20)8-7-16;/h3-4,11,16-17H,5-10,12-13H2,1-2H3;1H |
| InChIKey |
CISBQMXAMFGTAR-UHFFFAOYSA-N |
| SMILES |
CC1=C(C(CCN2CC3CCC(CC3)C2)=O)C=C(C=C1)C.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.978591 |
![3-(3-Azabicyclo[3.2.2]non-3-yl)-2',5'-dimethylpropiophenone, hydrochloride](/api/spectrum/FbBD3XhuiNz/structure.png?h=300&w=458 "3-(3-Azabicyclo[3.2.2]non-3-yl)-2',5'-dimethylpropiophenone, hydrochloride")
