| SpectraBase Spectrum ID |
9ohqUeg8pdT |
| Name |
8-Hydroxy-9,10-diketo-anthracene-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 |
282.052823417 u |
| Formula |
C16H10O5 |
| InChI |
InChI=1S/C16H10O5/c1-21-16(20)8-5-6-9-11(7-8)15(19)13-10(14(9)18)3-2-4-12(13)17/h2-7,17H,1H3 |
| InChIKey |
ZDIPCNPMHFKVQK-UHFFFAOYSA-N |
| Molecular Weight |
282.251 g/mol |
| SMILES |
C=1(C=CC=C2C(=O)C=3C=CC(=CC3C(=O)C12)C(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919372 |
