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

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

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, phenacyl ester
SpectraBase Compound ID Edq69cohYO
InChI InChI=1S/C19H13Cl2NO4/c1-11-16(18(22-26-11)17-13(20)8-5-9-14(17)21)19(24)25-10-15(23)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKey XDRLMNOCADFKOR-UHFFFAOYSA-N
Mol Weight 390.22 g/mol
Molecular Formula C19H13Cl2NO4
Exact Mass 389.022163 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HDmw9IR84RO
Name 3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID, PHENACYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13Cl2NO4
InChI InChI=1S/C19H13Cl2NO4/c1-11-16(18(22-26-11)17-13(20)8-5-9-14(17)21)19(24)25-10-15(23)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKey XDRLMNOCADFKOR-UHFFFAOYSA-N
Melting Point 222-225C
Molecular Weight 390.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-ISOXAZOLECARBOXYLIC ACID, 3-/2,6-DICHLOROPHENYL/-5-METHYL-, PHENACYL ESTER