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5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid, 2-bromo-4-dithiolan-2-yl)-6-methoxyphenyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

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 490.997297 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID H4cDDARsuLH
Name 5-METHYL-2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID, 2-BROMO-4-(1,3-DITHIOLAN-2-YL)-6-METHOXYPHENYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Melting Point 186-188C
Molecular Weight 492.42
Technique KBr WAFER