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3-Hydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

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

3-Hydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
SpectraBase Compound ID 9hFhJBUtHyk
InChI InChI=1S/C16H10O5/c1-7-12-10(6-11(17)13(7)16(20)21)14(18)8-4-2-3-5-9(8)15(12)19/h2-6,17H,1H3,(H,20,21)
InChIKey QZNQNEJOBLADNC-UHFFFAOYSA-N
Mol Weight 282.25 g/mol
Molecular Formula C16H10O5
Exact Mass 282.052823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DBjjhiBMhf
Name 3-Hydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.052823417 u
Formula C16H10O5
InChI InChI=1S/C16H10O5/c1-7-12-10(6-11(17)13(7)16(20)21)14(18)8-4-2-3-5-9(8)15(12)19/h2-6,17H,1H3,(H,20,21)
InChIKey QZNQNEJOBLADNC-UHFFFAOYSA-N
Molecular Weight 282.251 g/mol
SMILES C=1(C(=C(C=C2C(C=3C=CC=CC3C(C12)=O)=O)O)C(=O)O)C