![N-[1-[2-(4-Chlorophenyl)-ethyl]-4-phenylpiperidin-4-yl-methyl]-5-phenylvaleramide](/api/spectrum/1C1iT8xhtWi/structure.png?h=300&w=458 "N-[1-[2-(4-Chlorophenyl)-ethyl]-4-phenylpiperidin-4-yl-methyl]-5-phenylvaleramide")
| SpectraBase Compound ID | 7NwB9R7wz81 |
|---|---|
| InChI | InChI=1S/C31H37ClN2O/c32-29-17-15-27(16-18-29)19-22-34-23-20-31(21-24-34,28-12-5-2-6-13-28)25-33-30(35)14-8-7-11-26-9-3-1-4-10-26/h1-6,9-10,12-13,15-18H,7-8,11,14,19-25H2,(H,33,35) |
| InChIKey | KFSOJHUAYFBTQT-UHFFFAOYSA-N |
| Mol Weight | 489.1 g/mol |
| Molecular Formula | C31H37ClN2O |
| Exact Mass | 488.259442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1C1iT8xhtWi |
|---|---|
| Name | N-[1-[2-(4-Chlorophenyl)-ethyl]-4-phenylpiperidin-4-yl-methyl]-5-phenylvaleramide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.259441518 u |
| Formula | C31H37ClN2O |
| InChI | InChI=1S/C31H37ClN2O/c32-29-17-15-27(16-18-29)19-22-34-23-20-31(21-24-34,28-12-5-2-6-13-28)25-33-30(35)14-8-7-11-26-9-3-1-4-10-26/h1-6,9-10,12-13,15-18H,7-8,11,14,19-25H2,(H,33,35) |
| InChIKey | KFSOJHUAYFBTQT-UHFFFAOYSA-N |
| Molecular Weight | 489.103 g/mol |
| SMILES | C(CCCCC=1C=CC=CC1)(=O)NCC1(CCN(CC1)CCC=1C=CC(=CC1)Cl)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956505 |