SpectraBase Compound ID | JL7DvW4HdRL |
---|---|
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 |
Mol Weight | 296.28 g/mol |
Molecular Formula | C17H12O5 |
Exact Mass | 296.068473 g/mol |
SpectraBase Spectrum ID | J5pK3s8w6RL |
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Name | 2-Anthracenecarboxylic acid, 9,10-dihydro-3-hydroxy-1-methyl-9,10-dioxo-, methyl ester |
Comments | Computed using HOSE algorithm |
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 |