| SpectraBase Spectrum ID |
6rdvsT3QNCW |
| Name |
2,3,4,5-Tetrahydro-4-(3',4'-dimethoxybenzyl)-7-methoxy-2-oxo-1H-3-benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-23-17-6-5-14-12-20(22)21-16(10-15(14)11-17)8-13-4-7-18(24-2)19(9-13)25-3/h4-7,9,11,16H,8,10,12H2,1-3H3,(H,21,22) |
| InChIKey |
JCASBHCTZOKLJZ-UHFFFAOYSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
C1(=O)CC=2C(CC(N1)CC1=CC(OC)=C(OC)C=C1)=CC(OC)=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969563 |
