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4-(p-methylstyryl)-5-nitroimidazole-1-ethanol, p-toluenesulfonate (ester)
SpectraBase Compound ID 4oqesIZwLSR
InChI InChI=1S/C21H21N3O5S/c1-16-3-7-18(8-4-16)9-12-20-21(24(25)26)23(15-22-20)13-14-29-30(27,28)19-10-5-17(2)6-11-19/h3-12,15H,13-14H2,1-2H3
InChIKey OEEXPMDRDDXZOQ-UHFFFAOYSA-N
Mol Weight 427.48 g/mol
Molecular Formula C21H21N3O5S
Exact Mass 427.120192 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F6E8VDu0T87
Name 4-(p-METHYLSTYRYL)-5-NITROIMIDAZOLE-1-ETHANOL, p-TOLUENESULFONATE (ESTER)
Source of Sample W. J. Ross & A. Todd, Lilly Research Centre Ltd., Surrey, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O5S
InChI InChI=1S/C21H21N3O5S/c1-16-3-7-18(8-4-16)9-12-20-21(24(25)26)23(15-22-20)13-14-29-30(27,28)19-10-5-17(2)6-11-19/h3-12,15H,13-14H2,1-2H3
InChIKey OEEXPMDRDDXZOQ-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 863(1973)
Melting Point 190C
Molecular Weight 427.475006
Synonyms IMIDAZOLE-1-ETHANOL, 4-/P-METHYL- STYRYL/-5-NITRO-, P-TOLUENESULFONATE /ESTER/
Technique KBr WAFER