| SpectraBase Spectrum ID |
2VeYYit5TVB |
| Name |
2-Anthracenecarboxylic acid, 9,10-dihydro-3-hydroxy-1-methyl-9,10-dioxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.068473481 u |
| Formula |
C17H12O5 |
| InChI |
InChI=1S/C17H12O5/c1-8-13-11(7-12(18)14(8)17(21)22-2)15(19)9-5-3-4-6-10(9)16(13)20/h3-7,18H,1-2H3 |
| InChIKey |
QXNJKMRVSYRRLR-UHFFFAOYSA-N |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=CC(=C(C1C)C(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919642 |
