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3-(2-chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, dimethylcarbamate (ester)
SpectraBase Compound ID LmqDFiMcu7y
InChI InChI=1S/C22H21ClFNO4/c1-4-6-14-15-10-9-13(28-22(27)25(2)3)11-20(15)29-21(26)16(14)12-17-18(23)7-5-8-19(17)24/h5,7-11H,4,6,12H2,1-3H3
InChIKey FWNCIULYNUSSSD-UHFFFAOYSA-N
Mol Weight 417.86 g/mol
Molecular Formula C22H21ClFNO4
Exact Mass 417.114314 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EnEzsSLks4n
Name 3-(2-CHLORO-6-FLUOROBENZYL)-7-HYDROXY-4-PROPYLCOUMARIN, DIMETHYLCARBAMATE (ESTER)
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number RJF 1600
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClFNO4
InChI InChI=1S/C22H21ClFNO4/c1-4-6-14-15-10-9-13(28-22(27)25(2)3)11-20(15)29-21(26)16(14)12-17-18(23)7-5-8-19(17)24/h5,7-11H,4,6,12H2,1-3H3
InChIKey FWNCIULYNUSSSD-UHFFFAOYSA-N
Melting Point 100-102C
Molecular Weight 417.863007
Synonyms COUMARIN, 3-/2-CHLORO-6-FLUORO- BENZYL/-7-HYDROXY-4-PROPYL-, DIMETHYL- CARBAMATE /ESTER/
Technique KBr WAFER