SpectraBase Spectrum ID |
5IHAF6C0fkY |
Name |
4-Anilino-1-benzyl-3-(2-propenyl)piperidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
306.209598845 u |
Formula |
C21H26N2 |
InChI |
InChI=1S/C21H26N2/c1-2-9-19-17-23(16-18-10-5-3-6-11-18)15-14-21(19)22-20-12-7-4-8-13-20/h2-8,10-13,19,21-22H,1,9,14-17H2 |
InChIKey |
FWZQIHQKKXHFBJ-UHFFFAOYSA-N |
Molecular Weight |
306.453 g/mol |
SMILES |
C1(=CC=CC=C1)CN1CC(C(NC2=CC=CC=C2)CC1)CC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848244 |