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6-CHLORO-7-HYDROXY-4-METHYL-3-PROPYLCOUMARIN, alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLENESULFONATE

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

6-CHLORO-7-HYDROXY-4-METHYL-3-PROPYLCOUMARIN, alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLENESULFONATE
SpectraBase Compound ID 5LbOZWrzMTX
InChI InChI=1S/C21H15ClF6O5S/c1-3-4-14-10(2)15-8-16(22)18(9-17(15)32-19(14)29)33-34(30,31)13-6-11(20(23,24)25)5-12(7-13)21(26,27)28/h5-9H,3-4H2,1-2H3
InChIKey ZLWHRPBGIJLBOX-UHFFFAOYSA-N
Mol Weight 528.85 g/mol
Molecular Formula C21H15ClF6O5S
Exact Mass 528.023291 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMOoXQFRdG9
Name 6-chloro-7-hydroxy-4-methyl-3-propylcoumarin, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenesulfonate
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClF6O5S
InChI InChI=1S/C21H15ClF6O5S/c1-3-4-14-10(2)15-8-16(22)18(9-17(15)32-19(14)29)33-34(30,31)13-6-11(20(23,24)25)5-12(7-13)21(26,27)28/h5-9H,3-4H2,1-2H3
InChIKey ZLWHRPBGIJLBOX-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 33343M
Solvent CDCl3