| SpectraBase Spectrum ID |
IQi4pheIJot |
| Name |
1-Phenyl-3-piperidin-1-yl-propan-1,3-dion |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.125928789 u |
| Formula |
C14H17NO2 |
| InChI |
InChI=1S/C14H17NO2/c16-13(12-7-3-1-4-8-12)11-14(17)15-9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIKey |
WYONJHQETBNPEB-UHFFFAOYSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C1(=CC=CC=C1)C(=O)CC(=O)N1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870868 |
