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3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, ester with 2-(p-hydroxyphenyl)-3-(alpha,alpha,alpha-trifluoro-p-tolyl)acrylonitrile

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, ester with 2-(p-hydroxyphenyl)-3-(alpha,alpha,alpha-trifluoro-p-tolyl)acrylonitrile
SpectraBase Compound ID CE0RquY859w
InChI InChI=1S/C27H15Cl2F3N2O3/c1-15-23(25(34-37-15)24-21(28)3-2-4-22(24)29)26(35)36-20-11-7-17(8-12-20)18(14-33)13-16-5-9-19(10-6-16)27(30,31)32/h2-13H,1H3
InChIKey XJUYENVYSSSCDR-UHFFFAOYSA-N
Mol Weight 543.33 g/mol
Molecular Formula C27H15Cl2F3N2O3
Exact Mass 542.041182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HejwNGjLw05
Name 3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID, ESTER WITH 2-(p-HYDROXYPHENYL)-3-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)ACRYLONITRILE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H15Cl2F3N2O3
InChI InChI=1S/C27H15Cl2F3N2O3/c1-15-23(25(34-37-15)24-21(28)3-2-4-22(24)29)26(35)36-20-11-7-17(8-12-20)18(14-33)13-16-5-9-19(10-6-16)27(30,31)32/h2-13H,1H3
InChIKey XJUYENVYSSSCDR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 148-149C
Molecular Weight 543.33
Solvent CDCl3; Reference=TMS; Temperature 297K