| SpectraBase Spectrum ID |
If0Pga82dEK |
| Name |
Ethyl 1-(4-acetamidobenzyl)-4-(2-chlorobenzyl)piperidine-4-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.186670499 u |
| Formula |
C24H29ClN2O3 |
| InChI |
InChI=1S/C24H29ClN2O3/c1-3-30-23(29)24(16-20-6-4-5-7-22(20)25)12-14-27(15-13-24)17-19-8-10-21(11-9-19)26-18(2)28/h4-11H,3,12-17H2,1-2H3,(H,26,28) |
| InChIKey |
FZQLEUZGJHKHTP-UHFFFAOYSA-N |
| Molecular Weight |
428.960 g/mol |
| SMILES |
C1N(CCC(C1)(C(=O)OCC)CC1=C(C=CC=C1)Cl)CC1=CC=C(C=C1)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850858 |
