| SpectraBase Spectrum ID |
7ZzpRaODmAj |
| Name |
7-Bromo-8-hydroxy-4-methoxy-6-methyl-1,2-naphthalenedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.968421766 u |
| Formula |
C12H9BrO4 |
| InChI |
InChI=1S/C12H9BrO4/c1-5-3-6-8(17-2)4-7(14)11(15)9(6)12(16)10(5)13/h3-4,16H,1-2H3 |
| InChIKey |
JIQGKDLICIXCAU-UHFFFAOYSA-N |
| Molecular Weight |
297.104 g/mol |
| SMILES |
C1(=C(C(=C2C(=C1)C(=CC(C2=O)=O)OC)O)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850013 |
