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4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, tms derivative

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4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, tms derivative
SpectraBase Compound ID 2xhpxxgQY9s
InChI InChI=1S/C18H16O6Si/c1-25(2,3)24-18(23)9-7-11-15(13(20)8-9)17(22)14-10(16(11)21)5-4-6-12(14)19/h4-8,19-20H,1-3H3
InChIKey RGTHVWNFYOSAMS-UHFFFAOYSA-N
Mol Weight 356.41 g/mol
Molecular Formula C18H16O6Si
Exact Mass 356.071615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mjfysccCAH
Name 4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.071614764 u
Formula C18H16O6Si
InChI InChI=1S/C18H16O6Si/c1-25(2,3)24-18(23)9-7-11-15(13(20)8-9)17(22)14-10(16(11)21)5-4-6-12(14)19/h4-8,19-20H,1-3H3
InChIKey RGTHVWNFYOSAMS-UHFFFAOYSA-N
Molecular Weight 356.405 g/mol
SMILES C(O[Si](C)(C)C)(=O)C1=CC2=C(C(=C1)O)C(=O)C1=C(C2=O)C=CC=C1O