SpectraBase Spectrum ID |
CQnT0thavp9 |
Name |
1,2,3,6-Tetrahydropyridine-1-butyl-4-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
215.167399680 u |
Formula |
C15H21N |
InChI |
InChI=1S/C15H21N/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14/h4-9H,2-3,10-13H2,1H3 |
InChIKey |
ZETJNRFVSFVFDW-UHFFFAOYSA-N |
Molecular Weight |
215.340 g/mol |
SMILES |
C1CC(=CCN1CCCC)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936428 |