| SpectraBase Spectrum ID |
CS3YMx0bmgn |
| Name |
2-Bromo-5,8-dimethoxy-3-methyl-1,4-naphthalenedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.984071830 u |
| Formula |
C13H11BrO4 |
| InChI |
InChI=1S/C13H11BrO4/c1-6-11(14)13(16)10-8(18-3)5-4-7(17-2)9(10)12(6)15/h4-5H,1-3H3 |
| InChIKey |
KAPQIOFPLHEULS-UHFFFAOYSA-N |
| Molecular Weight |
311.131 g/mol |
| SMILES |
C1=CC(=C2C(=C1OC)C(C(=C(C2=O)Br)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97131 |
