| SpectraBase Spectrum ID |
HMh6rpd7taF |
| Name |
2-Benzyl-3-(4-methoxyphenyl)-6-methylisoquinolin-1(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.157228918 u |
| Formula |
C24H21NO2 |
| InChI |
InChI=1S/C24H21NO2/c1-17-8-13-22-20(14-17)15-23(19-9-11-21(27-2)12-10-19)25(24(22)26)16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3 |
| InChIKey |
VHMSJAXQHOMBRW-UHFFFAOYSA-N |
| Molecular Weight |
355.437 g/mol |
| SMILES |
C1(N(C(=CC=2C=C(C=CC12)C)C1=CC=C(C=C1)OC)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887932 |
