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dithio-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}imidocarbonic acid, dimethyl ester
SpectraBase Compound ID 1ut2dWNk73P
InChI InChI=1S/C17H14F3N3O2S4/c1-26-16(27-2)22-29(24,25)12-7-5-11(6-8-12)23-13(14-4-3-9-28-14)10-15(21-23)17(18,19)20/h3-10H,1-2H3
InChIKey YVJYZHMWYKWGSP-UHFFFAOYSA-N
Mol Weight 477.6 g/mol
Molecular Formula C17H14F3N3O2S4
Exact Mass 476.992096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6xwHQHVnX02
Name DITHIO-N-{{p-[5-(2-THIENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]PHENYL}SULFONYL}IMIDOCARBONIC ACID, DIMETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3N3O2S4
InChI InChI=1S/C17H14F3N3O2S4/c1-26-16(27-2)22-29(24,25)12-7-5-11(6-8-12)23-13(14-4-3-9-28-14)10-15(21-23)17(18,19)20/h3-10H,1-2H3
InChIKey YVJYZHMWYKWGSP-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 142-143C
Molecular Weight 477.57
Solvent CDCl3; Reference=TMS; Temperature 297K