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(9-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-F]chromen-10-yl) benzoate
SpectraBase Compound ID KMmRbAXftwu
InChI InChI=1S/C23H20O7/c1-13(24)27-21-20(29-22(26)15-7-5-4-6-8-15)18-16(30-23(21,2)3)11-9-14-10-12-17(25)28-19(14)18/h4-12,20-21H,1-3H3
InChIKey BNSRVXDDPIAAQG-UHFFFAOYSA-N
Mol Weight 408.41 g/mol
Molecular Formula C23H20O7
Exact Mass 408.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0flpfamC9l
Name (9-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-F]chromen-10-yl) benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.120902977 u
Formula C23H20O7
InChI InChI=1S/C23H20O7/c1-13(24)27-21-20(29-22(26)15-7-5-4-6-8-15)18-16(30-23(21,2)3)11-9-14-10-12-17(25)28-19(14)18/h4-12,20-21H,1-3H3
InChIKey BNSRVXDDPIAAQG-UHFFFAOYSA-N
Molecular Weight 408.406 g/mol
SMILES C1=2C(C(OC(=O)C)C(OC2C=CC2=C1OC(=O)C=C2)(C)C)OC(=O)C1=CC=CC=C1