| SpectraBase Spectrum ID |
ECo4B3nF77N |
| Name |
1'-[4-(p-Fluorophenyll)but-3-enyl]-4'-(?-acetoxypiperidinyl)-4'-aminocarbonylpiperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.242770062 u |
| Formula |
C23H32FN3O3 |
| InChI |
InChI=1S/C23H32FN3O3/c1-18(28)30-21-9-14-27(15-10-21)23(22(25)29)11-16-26(17-12-23)13-3-2-4-19-5-7-20(24)8-6-19/h2,4-8,21H,3,9-17H2,1H3,(H2,25,29)/b4-2+ |
| InChIKey |
BYYKJUGKRLPBRE-DUXPYHPUSA-N |
| Molecular Weight |
417.525 g/mol |
| SMILES |
C1(N2CCC(OC(=O)C)CC2)(C(=O)N)CCN(CC1)CC\C=C\C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886654 |
![1'-[4-(p-Fluorophenyll)but-3-enyl]-4'-(?-acetoxypiperidinyl)-4'-aminocarbonylpiperidine](/api/spectrum/ECo4B3nF77N/structure.png?h=300&w=458 "1'-[4-(p-Fluorophenyll)but-3-enyl]-4'-(?-acetoxypiperidinyl)-4'-aminocarbonylpiperidine")
