| SpectraBase Spectrum ID |
7udCSFbat0r |
| Name |
5-Bromanyl-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-3,4-dihydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.983734156 u |
| Formula |
C20H21Br2NO4 |
| InChI |
InChI=1S/C20H21Br2NO4/c1-24-16-8-11(13(21)9-17(16)25-2)7-15-19-12(5-6-23-15)14(22)10-18(26-3)20(19)27-4/h8-10H,5-7H2,1-4H3 |
| InChIKey |
BSVQJOFVWCMCAB-UHFFFAOYSA-N |
| Molecular Weight |
499.199 g/mol |
| SMILES |
C1(=NCCC=2C(=CC(=C(C12)OC)OC)Br)CC=1C(=CC(=C(C1)OC)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969792 |
![5-Bromanyl-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-3,4-dihydroisoquinoline](/api/spectrum/7udCSFbat0r/structure.png?h=300&w=458 "5-Bromanyl-1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-3,4-dihydroisoquinoline")
