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3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, o-carbamoylphenyl ester
SpectraBase Compound ID 3qWD4wR3ut7
InChI InChI=1S/C18H13ClN2O4/c1-10-15(16(21-25-10)11-6-2-4-8-13(11)19)18(23)24-14-9-5-3-7-12(14)17(20)22/h2-9H,1H3,(H2,20,22)
InChIKey PUQSYVVFVPIZBJ-UHFFFAOYSA-N
Mol Weight 356.77 g/mol
Molecular Formula C18H13ClN2O4
Exact Mass 356.056385 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ChND2JH9gU2
Name 3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID, o-CARBAMOYLPHENYL 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 C18H13ClN2O4
InChI InChI=1S/C18H13ClN2O4/c1-10-15(16(21-25-10)11-6-2-4-8-13(11)19)18(23)24-14-9-5-3-7-12(14)17(20)22/h2-9H,1H3,(H2,20,22)
InChIKey PUQSYVVFVPIZBJ-UHFFFAOYSA-N
Melting Point 185-186C
Molecular Weight 356.77
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-ISOXAZOLECARBOXYLIC ACID, 3-/O-CHLOROPHENYL/-5-METHYL-, O-CARBAMOYLPHENYL ESTER