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3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 4,4'-biphenylene ester

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

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 4,4'-biphenylene ester
SpectraBase Compound ID A3PdDD9evUf
InChI InChI=1S/C34H20Cl4N2O6/c1-17-27(31(39-45-17)29-23(35)5-3-6-24(29)36)33(41)43-21-13-9-19(10-14-21)20-11-15-22(16-12-20)44-34(42)28-18(2)46-40-32(28)30-25(37)7-4-8-26(30)38/h3-16H,1-2H3
InChIKey DJEPPKISAJNBAN-UHFFFAOYSA-N
Mol Weight 694.4 g/mol
Molecular Formula C34H20Cl4N2O6
Exact Mass 692.007547 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID yJGx0zPo1c
Name 3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID, 4,4'-BIPHENYLYLENE ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number BTB 5210
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H20Cl4N2O6
InChI InChI=1S/C34H20Cl4N2O6/c1-17-27(31(39-45-17)29-23(35)5-3-6-24(29)36)33(41)43-21-13-9-19(10-14-21)20-11-15-22(16-12-20)44-34(42)28-18(2)46-40-32(28)30-25(37)7-4-8-26(30)38/h3-16H,1-2H3
InChIKey DJEPPKISAJNBAN-UHFFFAOYSA-N
Melting Point 263-265C
Molecular Weight 694.341980
Synonyms 4-ISOXAZOLECARBOXYLIC ACID, 3-/2,6-DICHLOROPHENYL/-5-METHYL-, 4,4*-BIPHENYLYLENE ESTER
Technique KBr WAFER