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1-(methylsulfonyl)-3-[2-(methylthio)-5-nitrophenyl]pyrazole

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1-(methylsulfonyl)-3-[2-(methylthio)-5-nitrophenyl]pyrazole
SpectraBase Compound ID KNb5h2OM4HC
InChI InChI=1S/C11H11N3O4S2/c1-19-11-4-3-8(14(15)16)7-9(11)10-5-6-13(12-10)20(2,17)18/h3-7H,1-2H3
InChIKey XJAIZCDSFMVPGQ-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C11H11N3O4S2
Exact Mass 313.019098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsIgB5fTa8m
Name 1-(METHYLSULFONYL)-3-[2-(METHYLTHIO)-5-NITROPHENYL]PYRAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4S2
InChI InChI=1S/C11H11N3O4S2/c1-19-11-4-3-8(14(15)16)7-9(11)10-5-6-13(12-10)20(2,17)18/h3-7H,1-2H3
InChIKey XJAIZCDSFMVPGQ-UHFFFAOYSA-N
Melting Point 222-225C
Molecular Weight 313.36
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PYRAZOLE, 1-(METHYLSULFONYL)-3-[2-(METHYLTHIO)-5-NITROPHENYL]-,