| SpectraBase Spectrum ID |
49QY7zySugY |
| Name |
N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-2,3-didehydro-3-ethyl-4-oxo-6-phenylpiperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.109606698 u |
| Formula |
C23H26BrNO3 |
| InChI |
InChI=1S/C23H26BrNO3/c1-4-16-15-25(20(14-21(16)26)17-8-6-5-7-9-17)11-10-18-12-22(27-2)23(28-3)13-19(18)24/h5-9,12-13,15,20H,4,10-11,14H2,1-3H3 |
| InChIKey |
MGUJFUJKPLMCBX-UHFFFAOYSA-N |
| Molecular Weight |
444.369 g/mol |
| SMILES |
C=1N(C(CC(C1CC)=O)C=1C=CC=CC1)CCC1=C(C=C(C(=C1)OC)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885167 |
![N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-2,3-didehydro-3-ethyl-4-oxo-6-phenylpiperidine](/api/spectrum/49QY7zySugY/structure.png?h=300&w=458 "N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-2,3-didehydro-3-ethyl-4-oxo-6-phenylpiperidine")
