| SpectraBase Spectrum ID |
A2YFd63E88w |
| Name |
N-(1-Phenethyl-4-piperidyl)-N-propionylanthranilic acid, propyl ester, monohydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.233620692 u |
| Formula |
C26H35ClN2O3 |
| InChI |
InChI=1S/C26H34N2O3.ClH/c1-3-20-31-26(30)23-12-8-9-13-24(23)28(25(29)4-2)22-15-18-27(19-16-22)17-14-21-10-6-5-7-11-21;/h5-13,22H,3-4,14-20H2,1-2H3;1H |
| InChIKey |
NXJBGOYFOTYJMT-UHFFFAOYSA-N |
| Molecular Weight |
459.030 g/mol |
| SMILES |
Cl.C=1C=CC=C(C1C(=O)OCCC)N(C1CCN(CC1)CCC1=CC=CC=C1)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.978585 |
