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3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, O-ester with O,O-dimethyl phosphorothioate
SpectraBase Compound ID E3ZfEnMEVG7
InChI InChI=1S/C21H21ClFO5PS/c1-4-6-14-15-10-9-13(28-29(30,25-2)26-3)11-20(15)27-21(24)16(14)12-17-18(22)7-5-8-19(17)23/h5,7-11H,4,6,12H2,1-3H3
InChIKey BONQDFADOWDBAS-UHFFFAOYSA-N
Mol Weight 470.88 g/mol
Molecular Formula C21H21ClFO5PS
Exact Mass 470.051988 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JD253I5g8hd
Name 3-(2-CHLORO-6-FLUOROBENZYL)-7-HYDROXY-4-PROPYLCOUMARIN,O-ESTER WITH O,O-DIMETHYL PHOSPHOROTHIOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments One carbon atom is unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClFO5PS
InChI InChI=1S/C21H21ClFO5PS/c1-4-6-14-15-10-9-13(28-29(30,25-2)26-3)11-20(15)27-21(24)16(14)12-17-18(22)7-5-8-19(17)23/h5,7-11H,4,6,12H2,1-3H3
InChIKey BONQDFADOWDBAS-UHFFFAOYSA-N
Melting Point 86-89C
Molecular Weight 470.89
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-DIMETHYL PHOSPHOROTHIOATE