For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KKBCt2i7JV8
Name 5-METHYL-2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID, 2-BROMO-4-DITHIOLAN-2-YL)-6-METHOXYPHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 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
Instrument Name BRUKER AC-300
Melting Point 186-188C
Molecular Weight 492.42
Solvent CDCl3; Reference=TMS; Temperature 297K