| SpectraBase Spectrum ID |
AnpBbJ2UnjE |
| Name |
3-Bromo-5,8-dihydroxy-2,7-dimethoxy-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.958251004 u |
| Formula |
C12H9BrO6 |
| InChI |
InChI=1S/C12H9BrO6/c1-18-5-3-4(14)6-7(9(5)15)11(17)12(19-2)8(13)10(6)16/h3,14-15H,1-2H3 |
| InChIKey |
GUTIIFLDLABTLJ-UHFFFAOYSA-N |
| Molecular Weight |
329.102 g/mol |
| SMILES |
C1(=O)C(OC)=C(Br)C(=O)C2=C(O)C=C(OC)C(O)=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934495 |
