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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIVRmxvk22n
Name 5-(p-chlorophenyl)-3-methyl-4-isoxazolecarbothioic acid, S-(p-chlorophenyl)ester
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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
Instrument Name Varian CFT-20
Sadtler NMR Number 58555M
Solvent CDCl3