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4-methyl-5-nitroimidazole-1-ethanol, p-toluenesulfonate(ester)

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

4-methyl-5-nitroimidazole-1-ethanol, p-toluenesulfonate(ester)
SpectraBase Compound ID CwoL6bw6e2l
InChI InChI=1S/C13H15N3O5S/c1-10-3-5-12(6-4-10)22(19,20)21-8-7-15-9-14-11(2)13(15)16(17)18/h3-6,9H,7-8H2,1-2H3
InChIKey RJTKIPSPILZNKB-UHFFFAOYSA-N
Mol Weight 325.34 g/mol
Molecular Formula C13H15N3O5S
Exact Mass 325.073242 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7ZHLMF7AIG2
Name 4-METHYL-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 C13H15N3O5S
InChI InChI=1S/C13H15N3O5S/c1-10-3-5-12(6-4-10)22(19,20)21-8-7-15-9-14-11(2)13(15)16(17)18/h3-6,9H,7-8H2,1-2H3
InChIKey RJTKIPSPILZNKB-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 16, 863(1973)
Melting Point 130C
Molecular Weight 325.338989
Synonyms IMIDAZOLE-1-ETHANOL, 4-METHYL- 5-NITRO-, P-TOLUENESULFONATE /ESTER/
Technique KBr WAFER