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

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

5-(p-chlorophenyl)-3-methyl-4-isoxazolecarbothioic acid, S-p-tolyl ester
SpectraBase Compound ID 4OM16mi84eF
InChI InChI=1S/C18H14ClNO2S/c1-11-3-9-15(10-4-11)23-18(21)16-12(2)20-22-17(16)13-5-7-14(19)8-6-13/h3-10H,1-2H3
InChIKey SVGQOJAYOSPDTP-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C18H14ClNO2S
Exact Mass 343.043378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8OzUUOobSMq
Name 5-(p-CHLOROPHENYL)-3-METHYL-4-ISOXAZOLECARBOTHIOIC ACID, S-p-TOLYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClNO2S
InChI InChI=1S/C18H14ClNO2S/c1-11-3-9-15(10-4-11)23-18(21)16-12(2)20-22-17(16)13-5-7-14(19)8-6-13/h3-10H,1-2H3
InChIKey SVGQOJAYOSPDTP-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 113-115C
Molecular Weight 343.83
Solvent CDCl3; Reference=TMS; Temperature 297K