| SpectraBase Spectrum ID |
9R1VtTH9kHj |
| Name |
4-Bromo-11-hydroxy-1-methoxy-3-methylbenz[A]-anthracene-7,12-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.999721895 u |
| Formula |
C20H13BrO4 |
| InChI |
InChI=1S/C20H13BrO4/c1-9-8-14(25-2)16-10(18(9)21)6-7-12-17(16)20(24)15-11(19(12)23)4-3-5-13(15)22/h3-8,22H,1-2H3 |
| InChIKey |
YSXOIAOJMNJBJS-UHFFFAOYSA-N |
| Molecular Weight |
397.224 g/mol |
| SMILES |
C1=CC=C2C(=C1O)C(C1=C(C=CC=3C1=C(C=C(C3Br)C)OC)C2=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852011 |
![4-Bromo-11-hydroxy-1-methoxy-3-methylbenz[a]-anthracene-7,12-dione](/api/spectrum/9R1VtTH9kHj/structure.png?h=300&w=458 "4-Bromo-11-hydroxy-1-methoxy-3-methylbenz[a]-anthracene-7,12-dione")
