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5-(p-chlorophenyl)-3-methyl-4-isoxazolecarbothioic acid, S-(p-chlorophenyl)ester

View entire compound with spectra: 3 NMR, and 1 FTIR

5-(p-chlorophenyl)-3-methyl-4-isoxazolecarbothioic acid, S-(p-chlorophenyl)ester
SpectraBase Compound ID F5XohhFvkxk
InChI InChI=1S/C17H11Cl2NO2S/c1-10-15(17(21)23-14-8-6-13(19)7-9-14)16(22-20-10)11-2-4-12(18)5-3-11/h2-9H,1H3
InChIKey BQPNNNJFJFDOTL-UHFFFAOYSA-N
Mol Weight 364.25 g/mol
Molecular Formula C17H11Cl2NO2S
Exact Mass 362.988755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QQtw9mCeDo
Name 5-(p-CHLOROPHENYL)-3-METHYL-4-ISOXAZOLECARBOTHIOIC ACID, S-(p-CHLOROPHENYL) ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11Cl2NO2S
InChI InChI=1S/C17H11Cl2NO2S/c1-10-15(17(21)23-14-8-6-13(19)7-9-14)16(22-20-10)11-2-4-12(18)5-3-11/h2-9H,1H3
InChIKey BQPNNNJFJFDOTL-UHFFFAOYSA-N
Melting Point 123-125C
Molecular Weight 364.25
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 4-ISOXAZOLECARBOTHIOIC ACID, 5-(p-CHLOROPHENYL)-3-METHYL-, S-(p-CHLOROPHENYL) ESTER