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XCYGFIURDXEGNV-UHFFFAOYSA-N
SpectraBase Compound ID 5tAx8BxWSSH
InChI InChI=1S/C13H11F3N4S/c14-13(15,16)11-5-10(20(19-11)12(17)21)8-6-18-9-4-2-1-3-7(8)9/h1-4,6,10,18H,5H2,(H2,17,21)
InChIKey XCYGFIURDXEGNV-UHFFFAOYSA-N
Mol Weight 312.31 g/mol
Molecular Formula C13H11F3N4S
Exact Mass 312.065652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkWq7Ia5Mbe
Name XCYGFIURDXEGNV-UHFFFAOYSA-N
Compound Number XX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F3N4S
InChI InChI=1S/C13H11F3N4S/c14-13(15,16)11-5-10(20(19-11)12(17)21)8-6-18-9-4-2-1-3-7(8)9/h1-4,6,10,18H,5H2,(H2,17,21)
InChIKey XCYGFIURDXEGNV-UHFFFAOYSA-N
Literature Reference Author A.V.SANIN,V.G.NENAIDENKO,V.S.KUZMIN,E.S.BALENKOVA
Literature Reference Citation CHEM.HET.COMP.,34,558(1998)
Literature Reference DOI 10.1007/bf02290939
Molecular Weight 312.312 g/mol
Solvent CDCl3_OR_CD3CN_OR_CD3OD_OR_DMSO-
Source File Reference UWMZ15168