For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

6-Hydroxy-7-methoxy-4-phenylcoumarin, chlorodifluoroacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

6-Hydroxy-7-methoxy-4-phenylcoumarin, chlorodifluoroacetate
SpectraBase Compound ID E39IZQzDIY2
InChI InChI=1S/C18H11ClF2O5/c1-24-14-9-13-12(7-15(14)26-17(23)18(19,20)21)11(8-16(22)25-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey YVYPAUBVMCRXDK-UHFFFAOYSA-N
Mol Weight 380.73 g/mol
Molecular Formula C18H11ClF2O5
Exact Mass 380.026307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JHiPPucGjOq
Name 6-Hydroxy-7-methoxy-4-phenylcoumarin, chlorodifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.026307475 u
Formula C18H11ClF2O5
InChI InChI=1S/C18H11ClF2O5/c1-24-14-9-13-12(7-15(14)26-17(23)18(19,20)21)11(8-16(22)25-13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey YVYPAUBVMCRXDK-UHFFFAOYSA-N
Molecular Weight 380.731 g/mol
SMILES C1(=CC(=O)OC2=C1C=C(OC(C(F)(F)Cl)=O)C(=C2)OC)C1=CC=CC=C1