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3-methyl-2-(p-nitrophenyl)-5-phenyloxazolium p-toluenesulfonate

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

3-methyl-2-(p-nitrophenyl)-5-phenyloxazolium p-toluenesulfonate
SpectraBase Compound ID 9s5JrNqwUKD
InChI InChI=1S/C16H13N2O3.C7H8O3S/c1-17-11-15(12-5-3-2-4-6-12)21-16(17)13-7-9-14(10-8-13)18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey XOBOKBLPQAJDGL-UHFFFAOYSA-M
Mol Weight 452.48 g/mol
Molecular Formula C23H20N2O6S
Exact Mass 452.104208 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9bwpTmkMSti
Name 3-METHYL-2-(p-NITROPHENYL)-5-PHENYLOXAZOLIUM p-TOLUENESULFONATE
Source of Sample D. Ott, Los Alamos Scientific Laboratories, Los Alamos, New Mexico
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2O6S
InChI InChI=1S/C16H13N2O3.C7H8O3S/c1-17-11-15(12-5-3-2-4-6-12)21-16(17)13-7-9-14(10-8-13)18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey XOBOKBLPQAJDGL-UHFFFAOYSA-M
Molecular Weight 452.480988
Synonyms OXAZOLIUM P-TOLUENESULFONATE, 3- METHYL-2-/P-NITROPHENYL/-5-PHENYL-,
Technique KBr WAFER