| SpectraBase Spectrum ID |
6nK0DpjwBcJ |
| Name |
1-(1-(3-Chlorophenyl)-3-phenylprop-2-yn-1-yl)piperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.128427348 u |
| Formula |
C20H20ClN |
| InChI |
InChI=1S/C20H20ClN/c21-19-11-7-10-18(16-19)20(22-14-5-2-6-15-22)13-12-17-8-3-1-4-9-17/h1,3-4,7-11,16,20H,2,5-6,14-15H2 |
| InChIKey |
BGIDOLBKFJYBEB-UHFFFAOYSA-N |
| Molecular Weight |
309.840 g/mol |
| SMILES |
C=1(C=C(C(C#CC2=CC=CC=C2)N2CCCCC2)C=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908567 |
