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3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbamic acid, 3-(2,5-dimethylpyrrol-1-yl)-2-thenyl ester
SpectraBase Compound ID Af0OH46P2on
InChI InChI=1S/C22H19ClFN3O3S/c1-12-7-8-13(2)27(12)17-9-10-31-18(17)11-29-22(28)25-20-14(3)30-26-21(20)19-15(23)5-4-6-16(19)24/h4-10H,11H2,1-3H3,(H,25,28)
InChIKey MYWIDJLNCRMPFP-UHFFFAOYSA-N
Mol Weight 459.92 g/mol
Molecular Formula C22H19ClFN3O3S
Exact Mass 459.081969 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GjdArJRJJcc
Name 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBAMIC ACID, 3-(2,5-DIMETHYLPYRROL-1-YL)-2-THENYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 8955
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClFN3O3S
InChI InChI=1S/C22H19ClFN3O3S/c1-12-7-8-13(2)27(12)17-9-10-31-18(17)11-29-22(28)25-20-14(3)30-26-21(20)19-15(23)5-4-6-16(19)24/h4-10H,11H2,1-3H3,(H,25,28)
InChIKey MYWIDJLNCRMPFP-UHFFFAOYSA-N
Melting Point 119-121C
Molecular Weight 459.921997
Synonyms 4-ISOXAZOLECARBAMIC ACID, 3-/2-CHLORO-6-FLUOROPHENYL/-5-METHYL-, 3-/2,5-DIMETHYLPYRROL-1-YL/-2-THENYL ESTER
Technique KBr FILM (CHCl3)