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3-(p-fluorobenzyl)-7-hydroxy-4-methylcoumarin, m-chlorobenzenesulfonate

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(p-fluorobenzyl)-7-hydroxy-4-methylcoumarin, m-chlorobenzenesulfonate
SpectraBase Compound ID 5nicp5axVte
InChI InChI=1S/C23H16ClFO5S/c1-14-20-10-9-18(30-31(27,28)19-4-2-3-16(24)12-19)13-22(20)29-23(26)21(14)11-15-5-7-17(25)8-6-15/h2-10,12-13H,11H2,1H3
InChIKey GTDBXIBKBSWOTN-UHFFFAOYSA-N
Mol Weight 458.89 g/mol
Molecular Formula C23H16ClFO5S
Exact Mass 458.039101 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6AuGDsJlUUW
Name 3-(p-FLUOROBENZYL)-7-HYDROXY-4-METHYLCOUMARIN, m-CHLOROBENZENESULFONATE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16ClFO5S
InChI InChI=1S/C23H16ClFO5S/c1-14-20-10-9-18(30-31(27,28)19-4-2-3-16(24)12-19)13-22(20)29-23(26)21(14)11-15-5-7-17(25)8-6-15/h2-10,12-13H,11H2,1H3
InChIKey GTDBXIBKBSWOTN-UHFFFAOYSA-N
Melting Point 123-125C
Molecular Weight 458.888443
Technique KBr WAFER