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3,3-Diphenyl-3H-pyrano[3,2-a]xanthen-12(12H)-one

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

3,3-Diphenyl-3H-pyrano[3,2-a]xanthen-12(12H)-one
SpectraBase Compound ID HRxu6Yhrzc6
InChI InChI=1S/C28H18O3/c29-27-22-13-7-8-14-23(22)30-25-16-15-24-21(26(25)27)17-18-28(31-24,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H
InChIKey AADCSFIHDJJPFP-UHFFFAOYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C28H18O3
Exact Mass 402.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4jma0ot5Hv
Name 3,3-Diphenyl-3H-pyrano[3,2-A]xanthen-12(12H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.125594437 u
Formula C28H18O3
InChI InChI=1S/C28H18O3/c29-27-22-13-7-8-14-23(22)30-25-16-15-24-21(26(25)27)17-18-28(31-24,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H
InChIKey AADCSFIHDJJPFP-UHFFFAOYSA-N
Molecular Weight 402.449 g/mol
SMILES C1(C2=C(C=CC=3OC(C4=CC=CC=C4)(C=4C=CC=CC4)C=CC23)OC2=C1C=CC=C2)=O