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3-(p-FLUOROBENZYL)-7-HYDROXY-4-METHYLCOUMARIN, alpha,alpha,alpha-TRIFLUORO-m-TOLUENESULFONATE

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

3-(p-FLUOROBENZYL)-7-HYDROXY-4-METHYLCOUMARIN, alpha,alpha,alpha-TRIFLUORO-m-TOLUENESULFONATE
SpectraBase Compound ID 2utgOwmh3L8
InChI InChI=1S/C24H16F4O5S/c1-14-20-10-9-18(33-34(30,31)19-4-2-3-16(12-19)24(26,27)28)13-22(20)32-23(29)21(14)11-15-5-7-17(25)8-6-15/h2-10,12-13H,11H2,1H3
InChIKey GIZFOTFCEHECON-UHFFFAOYSA-N
Mol Weight 492.44 g/mol
Molecular Formula C24H16F4O5S
Exact Mass 492.065457 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7sMNVjZr2NJ
Name 3-(p-FLUOROBENZYL)-7-HYDROXY-4-METHYLCOUMARIN, alpha,alpha,alpha-TRIFLUORO-m-TOLUENESULFONATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16F4O5S
InChI InChI=1S/C24H16F4O5S/c1-14-20-10-9-18(33-34(30,31)19-4-2-3-16(12-19)24(26,27)28)13-22(20)32-23(29)21(14)11-15-5-7-17(25)8-6-15/h2-10,12-13H,11H2,1H3
InChIKey GIZFOTFCEHECON-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 109-111C
Molecular Weight 492.45
Solvent CDCl3; Reference=TMS; Temperature 297K