| SpectraBase Spectrum ID |
JTPajdWctpU |
| Name |
5-Acetyl-3-benzoyl-1,4-dihydro-2-phenyl-1,6-dimethylpyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.157228918 u |
| Formula |
C22H21NO2 |
| InChI |
InChI=1S/C22H21NO2/c1-15-19(16(2)24)14-20(22(25)18-12-8-5-9-13-18)21(23(15)3)17-10-6-4-7-11-17/h4-13H,14H2,1-3H3 |
| InChIKey |
RDPDVXFAGCJZMV-UHFFFAOYSA-N |
| Molecular Weight |
331.415 g/mol |
| SMILES |
C1(=C(N(C)C(=C(C1)C(=O)C)C)C=1C=CC=CC1)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854921 |
