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{[2-(2-PYRIDYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINYL]THIO}ACETIC ACID

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

{[2-(2-PYRIDYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINYL]THIO}ACETIC ACID
SpectraBase Compound ID kAoUQTNUVV
InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)8-5-9(21-6-10(19)20)18-11(17-8)7-3-1-2-4-16-7/h1-5H,6H2,(H,19,20)
InChIKey OLBQCQTXZIJZSQ-UHFFFAOYSA-N
Mol Weight 315.27 g/mol
Molecular Formula C12H8F3N3O2S
Exact Mass 315.028932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6AqMeZb2AJo
Name {[2-(2-PYRIDYL)-6-(TRIFLUOROMETHYL)-4-PYRIMIDINYL]THIO}ACETIC ACID
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8F3N3O2S
InChI InChI=1S/C12H8F3N3O2S/c13-12(14,15)8-5-9(21-6-10(19)20)18-11(17-8)7-3-1-2-4-16-7/h1-5H,6H2,(H,19,20)
InChIKey OLBQCQTXZIJZSQ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 244-247C (dec.)
Molecular Weight 315.28
Solvent DMSO-d6; Reference=TMS; Temperature 297K