| SpectraBase Spectrum ID |
EaRzna1HLG3 |
| Name |
12-Bromo-2,3,10,11-tetramethoxy-8-oxoberbine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.068135807 u |
| Formula |
C21H22BrNO5 |
| InChI |
InChI=1S/C21H22BrNO5/c1-25-16-7-11-5-6-23-15(12(11)9-17(16)26-2)8-13-14(21(23)24)10-18(27-3)20(28-4)19(13)22/h7,9-10,15H,5-6,8H2,1-4H3/t15-/m0/s1 |
| InChIKey |
WAJJMIDWTLVCCQ-HNNXBMFYSA-N |
| Molecular Weight |
448.313 g/mol |
| SMILES |
C1(N2[C@@](CC3=C1C=C(C(=C3Br)OC)OC)(C=1C(=CC(OC)=C(C1)OC)CC2)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93091 |
