John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5ebUIggPrKC SpectraBase Spectrum ID=1kxsufZ5ZhL

(accessed ).
5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid, 2-bromo-4-dithiolan-2-yl)-6-methoxyphenyl ester
SpectraBase Compound ID 5ebUIggPrKC
InChI InChI=1S/C20H18BrN3O3S2/c1-12-17(23-24(22-12)14-6-4-3-5-7-14)19(25)27-18-15(21)10-13(11-16(18)26-2)20-28-8-9-29-20/h3-7,10-11,20H,8-9H2,1-2H3
InChIKey UXECGUQSCILBEA-UHFFFAOYSA-N
Mol Weight 492.41 g/mol
Molecular Formula C20H18BrN3O3S2
Exact Mass 490.997296 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kxsufZ5ZhL
Name 5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid, 2-bromo-4-dithiolan-2-yl)-6-methoxyphenyl ester
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Formula C20H18BrN3O3S2
InChI InChI=1S/C20H18BrN3O3S2/c1-12-17(23-24(22-12)14-6-4-3-5-7-14)19(25)27-18-15(21)10-13(11-16(18)26-2)20-28-8-9-29-20/h3-7,10-11,20H,8-9H2,1-2H3
InChIKey UXECGUQSCILBEA-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56257M
Solvent CDCl3
SpectraBase Batch ID AA0ZWa3fWLC