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3-methyl-1-(p-nitrophenyl)-5-phenylpyrazole-4-sulfonyl chloride

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

3-methyl-1-(p-nitrophenyl)-5-phenylpyrazole-4-sulfonyl chloride
SpectraBase Compound ID D7EpsrPps4I
InChI InChI=1S/C16H12ClN3O4S/c1-11-16(25(17,23)24)15(12-5-3-2-4-6-12)19(18-11)13-7-9-14(10-8-13)20(21)22/h2-10H,1H3
InChIKey IZEWMKZTFYMNJJ-UHFFFAOYSA-N
Mol Weight 377.8 g/mol
Molecular Formula C16H12ClN3O4S
Exact Mass 377.023705 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AAAVbE6bSgx
Name 3-METHYL-1-(p-NITROPHENYL)-5-PHENYLPYRAZOLE-4-SULFONYL CHLORIDE
Source of Sample R. J. Alabaster & W. J. Barry, Merck Sharp & Dohme Research Laboratories, Hoddesdon, Hertfordshire, Englandland
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClN3O4S
InChI InChI=1S/C16H12ClN3O4S/c1-11-16(25(17,23)24)15(12-5-3-2-4-6-12)19(18-11)13-7-9-14(10-8-13)20(21)22/h2-10H,1H3
InChIKey IZEWMKZTFYMNJJ-UHFFFAOYSA-N
Melting Point 161-163C
Molecular Weight 377.81
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRAZOLE-4-SULFONYL CHLORIDE, 3-METHYL-1-/P-NITROPHENYL/-5-PHENYL-,