| SpectraBase Spectrum ID |
4vOfP6PZ7HK |
| Name |
6-Methyl-1-phenethyl-piperidine-2,4-quinone |
| 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/c1-11-9-13(16)10-14(17)15(11)8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey |
AUKOBTPCJZLINZ-UHFFFAOYSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C1(N(C(CC(C1)=O)C)CCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97768 |
