| SpectraBase Spectrum ID |
LgKRNXjNKML |
| Name |
Dimethyl-1,4-dimethoxy-9,10-dioxo-9,10-dihydroanthracene-2,3-diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.115817596 u |
| Formula |
C22H20O8 |
| InChI |
InChI=1S/C22H20O8/c1-27-15(23)9-13-14(10-16(24)28-2)22(30-4)18-17(21(13)29-3)19(25)11-7-5-6-8-12(11)20(18)26/h5-8H,9-10H2,1-4H3 |
| InChIKey |
JZBRNBZSCONJQL-UHFFFAOYSA-N |
| Molecular Weight |
412.394 g/mol |
| SMILES |
C1(=O)C2=C(C(C3=CC=CC=C13)=O)C(=C(CC(=O)OC)C(=C2OC)CC(=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837523 |
