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(-)-DIMETHYL-2-[(1,3,4-THIADIAZOL-2-YLAMINO)-[3-(TRIFLUOROMETHYL)-PHENYL]-METHYL]-MALONATE
SpectraBase Compound ID DNYMpfoBxSh
InChI InChI=1S/C15H14F3N3O4S/c1-24-12(22)10(13(23)25-2)11(20-14-21-19-7-26-14)8-4-3-5-9(6-8)15(16,17)18/h3-7,10-11H,1-2H3,(H,20,21)
InChIKey RKDZLFDOCQFXIV-UHFFFAOYSA-N
Mol Weight 389.35 g/mol
Molecular Formula C15H14F3N3O4S
Exact Mass 389.065712 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvCzcRyL3eD
Name (-)-DIMETHYL-2-[(1,3,4-THIADIAZOL-2-YLAMINO)-[3-(TRIFLUOROMETHYL)-PHENYL]-METHYL]-MALONATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14F3N3O4S
InChI InChI=1S/C15H14F3N3O4S/c1-24-12(22)10(13(23)25-2)11(20-14-21-19-7-26-14)8-4-3-5-9(6-8)15(16,17)18/h3-7,10-11H,1-2H3,(H,20,21)
InChIKey RKDZLFDOCQFXIV-UHFFFAOYSA-N
Literature Reference Author K.ZHANG,X.LIANG,M.HE,J.WU,Y.ZHANG,W.XUE,L.JIN,S.YANG,D.HU
Literature Reference Citation MOLECULES,18,6142(2013)
Literature Reference DOI 10.3390/molecules18066142
Solvent CDCl3
Source File Reference UWBT9500