| SpectraBase Spectrum ID |
FU94vGwNf5o |
| Name |
(1R,3R)-5-Bromanyl-7-(4,5-dimethoxy-2-methyl-naphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.109606698 u |
| Formula |
C24H26BrNO3 |
| InChI |
InChI=1S/C24H26BrNO3/c1-12-9-20(29-5)23-15(7-6-8-19(23)28-4)21(12)17-11-18(25)16-10-13(2)26-14(3)22(16)24(17)27/h6-9,11,13-14,26-27H,10H2,1-5H3/t13-,14-/m1/s1 |
| InChIKey |
ODXXMDWIJYWOAK-ZIAGYGMSSA-N |
| Molecular Weight |
456.380 g/mol |
| SMILES |
C12=C(C(C=3C=4C(=C(OC)C=CC4)C(=CC3C)OC)=CC(=C1C[C@](N[C@@]2(C)[H])(C)[H])Br)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94631 |
