| SpectraBase Spectrum ID |
EsVOzwst1SD |
| Name |
(6-Bromo-5-hydroxy-3-methoxy-7-methyl-9,10-dioxo-1-anthryl) acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.989551133 u |
| Formula |
C18H13BrO6 |
| InChI |
InChI=1S/C18H13BrO6/c1-7-4-10-14(18(23)15(7)19)17(22)11-5-9(24-3)6-12(25-8(2)20)13(11)16(10)21/h4-6,23H,1-3H3 |
| InChIKey |
QZKZUGPVKPLUNE-UHFFFAOYSA-N |
| Molecular Weight |
405.200 g/mol |
| SMILES |
C1=2C(C3=CC(OC)=CC(=C3C(C2C=C(C(=C1O)Br)C)=O)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819686 |
