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3,4-Diphenyl-7-hydroxycoumarin, chlorodifluoroacetate

View entire compound with spectra: 1 NMR

3,4-Diphenyl-7-hydroxycoumarin, chlorodifluoroacetate
SpectraBase Compound ID JHtuq1JTMIT
InChI InChI=1S/C23H13ClF2O4/c24-23(25,26)22(28)29-16-11-12-17-18(13-16)30-21(27)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13H
InChIKey ISDQKTNSTKXFCT-UHFFFAOYSA-N
Mol Weight 426.8 g/mol
Molecular Formula C23H13ClF2O4
Exact Mass 426.047043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EG7NiYmjJL
Name 3,4-Diphenyl-7-hydroxycoumarin, chlorodifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.047042921 u
Formula C23H13ClF2O4
InChI InChI=1S/C23H13ClF2O4/c24-23(25,26)22(28)29-16-11-12-17-18(13-16)30-21(27)20(15-9-5-2-6-10-15)19(17)14-7-3-1-4-8-14/h1-13H
InChIKey ISDQKTNSTKXFCT-UHFFFAOYSA-N
Molecular Weight 426.803 g/mol
SMILES C1(=CC=CC=C1)C1=C(C2=CC=C(C=C2OC1=O)OC(C(F)(F)Cl)=O)C=1C=CC=CC1