| SpectraBase Spectrum ID |
59jMnIKCpVS |
| Name |
4-Acetyl-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.063388100 u |
| Formula |
C18H12O6 |
| InChI |
InChI=1S/C18H12O6/c1-8(19)13-14-11(7-12(17(13)22)18(23)24-2)15(20)9-5-3-4-6-10(9)16(14)21/h3-7,22H,1-2H3 |
| InChIKey |
ALXBQFLAPBILKW-UHFFFAOYSA-N |
| Molecular Weight |
324.288 g/mol |
| SMILES |
C=1C(=C(C(=C2C(C=3C=CC=CC3C(C12)=O)=O)C(=O)C)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974606 |
