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2-METHYL-2-([5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL]-AMINO)-PROPIONIC-ACID,METHYLESTER,N-15-LABELLED

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2-METHYL-2-([5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL]-AMINO)-PROPIONIC-ACID,METHYLESTER,N-15-LABELLED
SpectraBase Compound ID BvzUtOy2Yaj
InChI InChI=1S/C8H10F3N3O2S/c1-7(2,5(15)16-3)12-6-14-13-4(17-6)8(9,10)11/h1-3H3,(H,12,14)/i12+1
InChIKey IMCJTPOQYUICIB-HNHCFKFXSA-N
Mol Weight 270.24 g/mol
Molecular Formula C8H10F3N215NO2S
Exact Mass 270.041617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FKa6L6wwVq
Name 2-METHYL-2-([5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL]-AMINO)-PROPIONIC-ACID,METHYLESTER,N-15-LABELLED
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10F3N215NO2S
InChI InChI=1S/C8H10F3N3O2S/c1-7(2,5(15)16-3)12-6-14-13-4(17-6)8(9,10)11/h1-3H3,(H,12,14)/i12+1
InChIKey IMCJTPOQYUICIB-HNHCFKFXSA-N
Literature Reference Author S.M.AMETAMEY,B.R.VINCENT,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,73,492(1990)
Literature Reference DOI 10.1002/hlca.19900730230
Molecular Weight 270.235 g/mol
Solvent CDCl3
Source File Reference UWED15189