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2-(p-ethylstyryl)-5-nitroimidazole-1-ethanol, p-toluenesulfonate (ester)
SpectraBase Compound ID HWFLJQwHL4q
InChI InChI=1S/C22H23N3O5S/c1-3-18-6-8-19(9-7-18)10-13-21-23-16-22(25(26)27)24(21)14-15-30-31(28,29)20-11-4-17(2)5-12-20/h4-13,16H,3,14-15H2,1-2H3
InChIKey MRVLYAFQCQRVON-UHFFFAOYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C22H23N3O5S
Exact Mass 441.135842 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BtFkX64GnFY
Name 2-(p-ETHYLSTYRYL)-5-NITROIMIDAZOLE-1-ETHANOL, p-TOLUENESULFONATE (ESTER)
Source of Sample W. J. Ross & W. B. Jamieson, Lilly Research Centre Ltd., Surrey, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O5S
InChI InChI=1S/C22H23N3O5S/c1-3-18-6-8-19(9-7-18)10-13-21-23-16-22(25(26)27)24(21)14-15-30-31(28,29)20-11-4-17(2)5-12-20/h4-13,16H,3,14-15H2,1-2H3
InChIKey MRVLYAFQCQRVON-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 15, 1035(172)
Melting Point 134.5-135.5C
Molecular Weight 441.502014
Synonyms IMIDAZOLE-1-ETHANOL, 2-/P-ETHYL- STYRYL/-5-NITRO-, P-TOLUENESULFONATE /ESTER/
Technique KBr WAFER