| SpectraBase Spectrum ID |
DGJjbQKzK7X |
| Name |
1-Bromo-2,4-dimethoxyanthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.984071830 u |
| Formula |
C16H11BrO4 |
| InChI |
InChI=1S/C16H11BrO4/c1-20-11-7-10-12(13(17)16(11)21-2)15(19)9-6-4-3-5-8(9)14(10)18/h3-7H,1-2H3 |
| InChIKey |
ZXMKTOIZCDTACK-UHFFFAOYSA-N |
| Molecular Weight |
347.164 g/mol |
| SMILES |
C12=C(C(C=3C(C2=O)=CC(=C(C3Br)OC)OC)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87091 |
