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3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester

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

3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester
SpectraBase Compound ID BgM4EmEzDtP
InChI InChI=1S/C22H19ClFNO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3
InChIKey LXIUVLOXXFPIEC-UHFFFAOYSA-N
Mol Weight 431.85 g/mol
Molecular Formula C22H19ClFNO5
Exact Mass 431.093579 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L4yVorRcWtN
Name 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID,2-METHOXY-4-(3-OXOBUTYL)PHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClFNO5
InChI InChI=1S/C22H19ClFNO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3
InChIKey LXIUVLOXXFPIEC-UHFFFAOYSA-N
Melting Point 106-109C
Molecular Weight 431.85
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-ISOXAZOLECARBOXYLIC ACID, 3-/2-CHLORO-6-FLUOROPHENYL/-5-METHYL-, 2-METHOXY-4-/3-OXOBUTYL/PHENYL ESTER