| SpectraBase Spectrum ID |
HsIAGUUtR51 |
| Name |
N-{1-[3-(2,5-Dimethylbenzoyl)propyl]-4-piperidyl}benzamide, monohydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.207405944 u |
| Formula |
C24H31ClN2O2 |
| InChI |
InChI=1S/C24H30N2O2.ClH/c1-18-10-11-19(2)22(17-18)23(27)9-6-14-26-15-12-21(13-16-26)25-24(28)20-7-4-3-5-8-20;/h3-5,7-8,10-11,17,21H,6,9,12-16H2,1-2H3,(H,25,28);1H |
| InChIKey |
MFKPYIBXBXUKFS-UHFFFAOYSA-N |
| Molecular Weight |
414.977 g/mol |
| SMILES |
Cl.N(C(C1=CC=CC=C1)=O)C1CCN(CC1)CCCC(C=1C(=CC=C(C1)C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.978195 |
![N-{1-[3-(2,5-dimethylbenzoyl)propyl]-4-piperidyl}benzamide, monohydrochloride](/api/spectrum/HsIAGUUtR51/structure.png?h=300&w=458 "N-{1-[3-(2,5-dimethylbenzoyl)propyl]-4-piperidyl}benzamide, monohydrochloride")
