| SpectraBase Spectrum ID |
INVxGdDEZou |
| Name |
1-(2-Bromo-3,4-dimethoxy-benzyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.088871253 u |
| Formula |
C20H24BrNO4 |
| InChI |
InChI=1S/C20H24BrNO4/c1-22-10-9-12-5-7-15(24-2)19(23)17(12)14(22)11-13-6-8-16(25-3)20(26-4)18(13)21/h5-8,14,23H,9-11H2,1-4H3 |
| InChIKey |
CEWWBWCZLZDKFW-UHFFFAOYSA-N |
| Molecular Weight |
422.319 g/mol |
| SMILES |
C1(C=2C(=C(OC)C=CC2CCN1C)O)CC=1C(=C(OC)C(=CC1)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925222 |
