| SpectraBase Spectrum ID |
9IHyA113qCo |
| Name |
1,4,5-Triacetoxy-9,10-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.068867403 u |
| Formula |
C20H14O8 |
| InChI |
InChI=1S/C20H14O8/c1-9(21)26-13-6-4-5-12-16(13)20(25)18-15(28-11(3)23)8-7-14(27-10(2)22)17(18)19(12)24/h4-8H,1-3H3 |
| InChIKey |
SRKUTLVNIVHQBV-UHFFFAOYSA-N |
| Molecular Weight |
382.324 g/mol |
| SMILES |
C=1(C=CC(=C2C(C=3C(=CC=CC3C(C12)=O)OC(=O)C)=O)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939108 |
