| SpectraBase Spectrum ID |
LkjoYTtwq0m |
| Name |
2-(2-Bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-naphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.020851261 u |
| Formula |
C20H17BrO6 |
| InChI |
InChI=1S/C20H17BrO6/c1-24-16-6-10(14(21)9-19(16)27-4)12-5-15(22)11-7-17(25-2)18(26-3)8-13(11)20(12)23/h5-9H,1-4H3 |
| InChIKey |
YKZLHBGQRBHYDX-UHFFFAOYSA-N |
| Molecular Weight |
433.254 g/mol |
| SMILES |
C=1(C(C=2C=C(OC)C(=CC2C(C1)=O)OC)=O)C=1C(=CC(=C(C1)OC)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959173 |
