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2,3,8,9-Tetrahydroanthra[9,1-bc:10,5-B'C']dipyran-2,8-dicarboxylic acid, diethyl ester
SpectraBase Compound ID 11n3jdAiua5
InChI InChI=1S/C24H22O6/c1-3-27-23(25)17-11-13-7-5-10-16-19(13)21(29-17)15-9-6-8-14-12-18(24(26)28-4-2)30-22(16)20(14)15/h5-10,17-18H,3-4,11-12H2,1-2H3
InChIKey JVRQWYQFJXUDGU-UHFFFAOYSA-N
Mol Weight 406.43 g/mol
Molecular Formula C24H22O6
Exact Mass 406.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWOzpZAUA5w
Name 2,3,8,9-Tetrahydroanthra[9,1-bc:10,5-B'C']dipyran-2,8-dicarboxylic acid, diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.141638422 u
Formula C24H22O6
InChI InChI=1S/C24H22O6/c1-3-27-23(25)17-11-13-7-5-10-16-19(13)21(29-17)15-9-6-8-14-12-18(24(26)28-4-2)30-22(16)20(14)15/h5-10,17-18H,3-4,11-12H2,1-2H3
InChIKey JVRQWYQFJXUDGU-UHFFFAOYSA-N
Molecular Weight 406.434 g/mol
SMILES C1=2C=CC=C3CC(OC(=C4C=CC=C5C4=C1OC(C5)C(OCC)=O)C23)C(OCC)=O