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3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 3-(2,5-dimethylpyrrol-1-yl)-2-thenyl ester
SpectraBase Compound ID EtDgdjd0NBr
InChI InChI=1S/C22H18ClFN2O3S/c1-12-7-8-13(2)26(12)17-9-10-30-18(17)11-28-22(27)19-14(3)29-25-21(19)20-15(23)5-4-6-16(20)24/h4-10H,11H2,1-3H3
InChIKey KLIUZITWTMXPSB-UHFFFAOYSA-N
Mol Weight 444.91 g/mol
Molecular Formula C22H18ClFN2O3S
Exact Mass 444.071069 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7YaZ6iLtn3T
Name 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID, 3-(2,5-DIMETHYLPYRROL-1-YL)-2-THENYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 8865
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClFN2O3S
InChI InChI=1S/C22H18ClFN2O3S/c1-12-7-8-13(2)26(12)17-9-10-30-18(17)11-28-22(27)19-14(3)29-25-21(19)20-15(23)5-4-6-16(20)24/h4-10H,11H2,1-3H3
InChIKey KLIUZITWTMXPSB-UHFFFAOYSA-N
Melting Point 101-104C
Molecular Weight 444.907013
Synonyms 4-ISOXAZOLECARBOXYLIC ACID, 3-/2-CHLORO-6-FLUOROPHENYL/-5-METHYL-, 3-/2,5-DIMETHYLPYRROL-1-YL/-2-THENYL ESTER
Technique KBr WAFER