| SpectraBase Spectrum ID |
9Bxs2ak6c7t |
| Name |
5-Bromo-1-(2-bromo-4,5-dimethoxybenzyl)-7,8-methylenedioxy-1,2,3,4-dihydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.968084092 u |
| Formula |
C19H19Br2NO4 |
| InChI |
InChI=1S/C19H19Br2NO4/c1-23-15-6-10(12(20)7-16(15)24-2)5-14-18-11(3-4-22-14)13(21)8-17-19(18)26-9-25-17/h6-8,14,22H,3-5,9H2,1-2H3 |
| InChIKey |
MSLHOMOHQIEISG-UHFFFAOYSA-N |
| Molecular Weight |
485.172 g/mol |
| SMILES |
C1=2C(CC3=C(C=C(C(=C3)OC)OC)Br)NCCC1=C(C=C1C2OCO1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883707 |
