| SpectraBase Spectrum ID |
Ap41syrITmF |
| Name |
2-Anthraceneacetic acid, 9,10-dihydro-1,4-dihydroxy-3-(3-hydroxybutyl)-9,10-dioxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.120902977 u |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c1-10(22)7-8-13-14(9-15(23)28-2)21(27)17-16(20(13)26)18(24)11-5-3-4-6-12(11)19(17)25/h3-6,10,22,26-27H,7-9H2,1-2H3 |
| InChIKey |
HIHNSFTVPHXCNY-UHFFFAOYSA-N |
| Molecular Weight |
384.384 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C(=C(C1O)CC(=O)OC)CCC(O)C |
