| SpectraBase Spectrum ID |
Ki3lMsPuynb |
| Name |
1-[(2-Bromanyl-3,4-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.088871253 u |
| Formula |
C20H24BrNO4 |
| InChI |
InChI=1S/C20H24BrNO4/c1-23-16-6-5-13(19(21)20(16)26-4)9-15-14-11-18(25-3)17(24-2)10-12(14)7-8-22-15/h5-6,10-11,15,22H,7-9H2,1-4H3 |
| InChIKey |
PQWAUFGPPXWHOS-UHFFFAOYSA-N |
| Molecular Weight |
422.319 g/mol |
| SMILES |
C1(NCCC=2C=C(C(=CC12)OC)OC)CC=1C(=C(C(=CC1)OC)OC)Br |
![1-[(2-Bromanyl-3,4-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline](/api/spectrum/Ki3lMsPuynb/structure.png?h=300&w=458 "1-[(2-Bromanyl-3,4-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline")
