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2-Anthracenecarboxylic acid, 9,10-dihydro-3-hydroxy-1-methyl-9,10-dioxo-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Anthracenecarboxylic acid, 9,10-dihydro-3-hydroxy-1-methyl-9,10-dioxo-, methyl ester
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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