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2-Oxo-8,8-diphenyl-2H,8H-pyrano[2,3-f](1)-benzopyran-3-carboxylic Acid

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

2-Oxo-8,8-diphenyl-2H,8H-pyrano[2,3-f](1)-benzopyran-3-carboxylic Acid
SpectraBase Compound ID 2R0NN69XpgW
InChI InChI=1S/C25H16O5/c26-23(27)20-15-16-11-12-21-19(22(16)29-24(20)28)13-14-25(30-21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,26,27)
InChIKey YUAWPRGPYFUFGW-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C25H16O5
Exact Mass 396.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gev2IvK4ENV
Name 2-oxo-8,8-Diphenyl-2H,8H-pyrano[2,3-F](1)-benzopyran-3-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.099773610 u
Formula C25H16O5
InChI InChI=1S/C25H16O5/c26-23(27)20-15-16-11-12-21-19(22(16)29-24(20)28)13-14-25(30-21,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,26,27)
InChIKey YUAWPRGPYFUFGW-UHFFFAOYSA-N
Molecular Weight 396.398 g/mol
SMILES C=1(C(OC=2C(C1)=CC=C1OC(C=3C=CC=CC3)(C=3C=CC=CC3)C=CC21)=O)C(=O)O