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3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, O-ester with O,O-diethyl phosphorothioate
SpectraBase Compound ID 4xXZ0hYoOmE
InChI InChI=1S/C23H25ClFO5PS/c1-4-8-16-17-12-11-15(30-31(32,27-5-2)28-6-3)13-22(17)29-23(26)18(16)14-19-20(24)9-7-10-21(19)25/h7,9-13H,4-6,8,14H2,1-3H3
InChIKey FFULAHRSBARJHU-UHFFFAOYSA-N
Mol Weight 498.93 g/mol
Molecular Formula C23H25ClFO5PS
Exact Mass 498.083288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kx3ARjJRc4G
Name 3-(2-CHLORO-6-FLUOROBENZYL)-7-HYDROXY-4-PROPYLCOUMARIN,O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment; One carbon atom is unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClFO5PS
InChI InChI=1S/C23H25ClFO5PS/c1-4-8-16-17-12-11-15(30-31(32,27-5-2)28-6-3)13-22(17)29-23(26)18(16)14-19-20(24)9-7-10-21(19)25/h7,9-13H,4-6,8,14H2,1-3H3
InChIKey FFULAHRSBARJHU-UHFFFAOYSA-N
Melting Point 93-95C
Molecular Weight 498.94
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms COUMARIN, 3-/2-CHLORO-6-FLUOROBENZYL/-7-HYDROXY-4-PROPYL-, O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE