| SpectraBase Spectrum ID |
4nW0uCxIKg5 |
| Name |
1-(4-Benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.178358285 u |
| Formula |
C22H25NO4 |
| InChI |
InChI=1S/C22H25NO4/c1-26-19-9-8-18(15-20(19)27-2)21(24)22(25)23-12-10-17(11-13-23)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3 |
| InChIKey |
AJCSQAJYCQKXBI-UHFFFAOYSA-N |
| Molecular Weight |
367.445 g/mol |
| SMILES |
C(C(=O)C1=CC(=C(C=C1)OC)OC)(=O)N1CCC(CC1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955479 |
