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3-PHENYL-5-(COO(ME)2-COO)-METHYL-1,2,3,4-THIATRIAZOLE

View entire compound with spectra: 2 NMR

3-PHENYL-5-(COO(ME)2-COO)-METHYL-1,2,3,4-THIATRIAZOLE
SpectraBase Compound ID Dg9ttZVX5Bv
InChI InChI=1S/C12H12N3O4S/c1-18-11(16)9(12(17)19-2)10-13-15(14-20-10)8-6-4-3-5-7-8/h3-7,9H,1-2H3/q+1
InChIKey WJKUWPCPOHIGME-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C12H12N3O4S
Exact Mass 294.054852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jN5rufnS18
Name 3-PHENYL-5-(COO(ME)2-COO)-METHYL-1,2,3,4-THIATRIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N3O4S
InChI InChI=1S/C12H12N3O4S/c1-18-11(16)9(12(17)19-2)10-13-15(14-20-10)8-6-4-3-5-7-8/h3-7,9H,1-2H3/q+1
InChIKey WJKUWPCPOHIGME-UHFFFAOYSA-N
Literature Reference Author L.STEFANIAK,J.JAZWINSKI
Literature Reference Citation CHEM.HET.COMP.,31,1027(1995)
Literature Reference DOI 10.1007/bf01165049
Molecular Weight 294.305 g/mol
Solvent CDCl3
Source File Reference UWMZ14923