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3-{{[5-oxo-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl}amino}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID A2Vd3wytmtD
InChI InChI=1S/C11H8F3N3O3S/c1-20-10(19)7-6(2-3-21-7)15-4-5-8(11(12,13)14)16-17-9(5)18/h2-4,15H,1H3,(H,17,18)
InChIKey XNGLNPXDSRXINB-UHFFFAOYSA-N
Mol Weight 319.26 g/mol
Molecular Formula C11H8F3N3O3S
Exact Mass 319.023847 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 16OXnYtz4QH
Name 3-{{[5-OXO-3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-4-YLIDENE]METHYL}AMINO}-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8F3N3O3S
InChI InChI=1S/C11H8F3N3O3S/c1-20-10(19)7-6(2-3-21-7)15-4-5-8(11(12,13)14)16-17-9(5)18/h2-4,15H,1H3,(H,17,18)
InChIKey XNGLNPXDSRXINB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 267-269C
Molecular Weight 319.26
Solvent DMSO-d6; Reference=TMS; Temperature 297K