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1-[2-(4-METHYLPHENYL)-4-TRIFLUOROMETHYL-5-THIAZOLYL]-1,2,3-TRIAZOLE-4,5-DICARBOXYLIC-ACID-DIMETHYLESTER
SpectraBase Compound ID L0ExYWOc7Fm
InChI InChI=1S/C17H13F3N4O4S/c1-8-4-6-9(7-5-8)13-21-12(17(18,19)20)14(29-13)24-11(16(26)28-3)10(22-23-24)15(25)27-2/h4-7H,1-3H3
InChIKey MBVVPTFGDGDBFB-UHFFFAOYSA-N
Mol Weight 426.37 g/mol
Molecular Formula C17H13F3N4O4S
Exact Mass 426.060961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qu8gJC9S62
Name 1-[2-(4-METHYLPHENYL)-4-TRIFLUOROMETHYL-5-THIAZOLYL]-1,2,3-TRIAZOLE-4,5-DICARBOXYLIC-ACID-DIMETHYLESTER
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13F3N4O4S
InChI InChI=1S/C17H13F3N4O4S/c1-8-4-6-9(7-5-8)13-21-12(17(18,19)20)14(29-13)24-11(16(26)28-3)10(22-23-24)15(25)27-2/h4-7H,1-3H3
InChIKey MBVVPTFGDGDBFB-UHFFFAOYSA-N
Literature Reference Author K.BURGER,E.HOESS,N.SEWALD,K.GEITH,J.RIEDE,P.BISSINGER
Literature Reference Citation Z.NATURFORSCH.,45B,1695(1990)
Molecular Weight 426.370 g/mol
Solvent CDCl3
Source File Reference UWCS13146