| SpectraBase Spectrum ID |
K6n3SnBa7iY |
| Name |
5,8-Acetoxy-7-bromoo-2,3-dimethyl-1,4-dihydroanthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.036501326 u |
| Formula |
C20H19BrO6 |
| InChI |
InChI=1S/C20H19BrO6/c1-8-5-12-13(6-9(8)2)19(25)17-16(18(12)24)15(26-10(3)22)7-14(21)20(17)27-11(4)23/h7,12-13H,5-6H2,1-4H3 |
| InChIKey |
AXQGGAXAAWATRB-UHFFFAOYSA-N |
| Molecular Weight |
435.270 g/mol |
| SMILES |
C12=C(C(=O)C3C(C2=O)CC(=C(C)C3)C)C(OC(=O)C)=CC(=C1OC(=O)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966507 |
