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3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 3-(2,5-dimethylpyrrol-1-yl)-2-thenyl ester
SpectraBase Compound ID HmkonEdIS5L
InChI InChI=1S/C21H16Cl2N2O3S/c1-12-6-7-13(2)25(12)17-8-9-29-18(17)11-27-21(26)14-10-28-24-20(14)19-15(22)4-3-5-16(19)23/h3-10H,11H2,1-2H3
InChIKey WIQSEYUJLVIZMF-UHFFFAOYSA-N
Mol Weight 447.34 g/mol
Molecular Formula C21H16Cl2N2O3S
Exact Mass 446.025869 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FywQer4ho0r
Name 3-(2,6-DICHLOROPHENYL)-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 8866
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Cl2N2O3S
InChI InChI=1S/C21H16Cl2N2O3S/c1-12-6-7-13(2)25(12)17-8-9-29-18(17)11-27-21(26)14-10-28-24-20(14)19-15(22)4-3-5-16(19)23/h3-10H,11H2,1-2H3
InChIKey WIQSEYUJLVIZMF-UHFFFAOYSA-N
Melting Point 123-125C
Molecular Weight 447.329987
Synonyms 4-ISOXAZOLECARBOXYLIC ACID, 3-/2,6-DICHLOROPHENYL/-, 3-/2,5-DI- METHYLPYRROL-1-YL/-2-THENYL ESTER
Technique FILM (CAST FROM CHCl3)