| SpectraBase Spectrum ID |
9u0oEbP9fVG |
| Name |
5,8-Acetoxy-7-methoxy-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 |
386.136553041 u |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-9-6-13-14(7-10(9)2)20(25)18-17(19(13)24)15(27-11(3)22)8-16(26-5)21(18)28-12(4)23/h8,13-14H,6-7H2,1-5H3 |
| InChIKey |
PRVDVANPVXDOIW-UHFFFAOYSA-N |
| Molecular Weight |
386.400 g/mol |
| SMILES |
C12=C(C(=O)C3C(C2=O)CC(=C(C)C3)C)C(OC(=O)C)=CC(=C1OC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924898 |
