| SpectraBase Spectrum ID |
4eYHVr1TI0v |
| Name |
1-(3-Phenyl-1-(m-tolyl)prop-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 |
289.183049745 u |
| Formula |
C21H23N |
| InChI |
InChI=1S/C21H23N/c1-18-9-8-12-20(17-18)21(22-15-6-3-7-16-22)14-13-19-10-4-2-5-11-19/h2,4-5,8-12,17,21H,3,6-7,15-16H2,1H3 |
| InChIKey |
RYZRSGMOAGYBGG-UHFFFAOYSA-N |
| Molecular Weight |
289.422 g/mol |
| SMILES |
C=1(C=C(C(C#CC2=CC=CC=C2)N2CCCCC2)C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87341 |
