| SpectraBase Spectrum ID |
Atg18rpsuiH |
| Name |
3,8-Dihydroxy-4-methoxy-2-methoxycarbonyl-1-methylanthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.073952784 u |
| Formula |
C18H14O7 |
| InChI |
InChI=1S/C18H14O7/c1-7-10-13(17(24-2)16(22)11(7)18(23)25-3)14(20)8-5-4-6-9(19)12(8)15(10)21/h4-6,19,22H,1-3H3 |
| InChIKey |
JLOINGOXTJOIBQ-UHFFFAOYSA-N |
| Molecular Weight |
342.303 g/mol |
| SMILES |
C=1(C(=C(C(=C2C(=O)C=3C=CC=C(C3C(=O)C12)O)OC)O)C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826277 |
