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3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 3-(pyrrol-1-yl)-2-thenyl ester
SpectraBase Compound ID 5CsW7vZaK0D
InChI InChI=1S/C20H14ClFN2O3S/c1-12-17(19(23-27-12)18-13(21)5-4-6-14(18)22)20(25)26-11-16-15(7-10-28-16)24-8-2-3-9-24/h2-10H,11H2,1H3
InChIKey VAZLUVRKUPYKEC-UHFFFAOYSA-N
Mol Weight 416.85 g/mol
Molecular Formula C20H14ClFN2O3S
Exact Mass 416.039769 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9zOxxeaQQ7O
Name 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID, 3-(PYRROL-1-YL)-2-THENYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 8824
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClFN2O3S
InChI InChI=1S/C20H14ClFN2O3S/c1-12-17(19(23-27-12)18-13(21)5-4-6-14(18)22)20(25)26-11-16-15(7-10-28-16)24-8-2-3-9-24/h2-10H,11H2,1H3
InChIKey VAZLUVRKUPYKEC-UHFFFAOYSA-N
Melting Point 92-94C
Molecular Weight 416.852997
Synonyms 4-ISOXAZOLECARBOXYLIC ACID, 3-/2-CHLORO-6-FLUOROPHENYL/-5-METHYL-, 3-/PYRROL-1-YL/-2-THENYL ESTER
Technique KBr WAFER