| SpectraBase Spectrum ID |
K5mlx7WBntM |
| Name |
1,4-Ethenoisoquinolin-3(2H)-one, 1,4-dihydro-6,7-dimethoxy-2-(2-phenylethenyl)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.136493473 u |
| Formula |
C21H19NO3 |
| InChI |
InChI=1S/C21H19NO3/c1-24-19-12-16-15-8-9-18(17(16)13-20(19)25-2)22(21(15)23)11-10-14-6-4-3-5-7-14/h3-13,15,18H,1-2H3/b11-10+ |
| InChIKey |
OFSUYGUFQYVFAW-ZHACJKMWSA-N |
| Molecular Weight |
333.387 g/mol |
| SMILES |
C1(N(C2C3=C(C1C=C2)C=C(C(=C3)OC)OC)\C=C\C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951338 |
