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p-toluenesulfonic acid, m-nitrophenyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

p-toluenesulfonic acid, m-nitrophenyl ester
SpectraBase Compound ID 5MvHMhcjs9G
InChI InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3
InChIKey QRMMIQVSVATYQP-UHFFFAOYSA-N
Mol Weight 293.29 g/mol
Molecular Formula C13H11NO5S
Exact Mass 293.035794 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZtWwu0CawO
Name 3-NITROPHENYL-4-TOLUENESULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NO5S
InChI InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3
InChIKey QRMMIQVSVATYQP-UHFFFAOYSA-N
Literature Reference Author V.NUMMERT,V.MAEEMETS,M.PIIRSALU,I.A.KOPPEL
Literature Reference Citation MAGN.RES.CHEM.,50,696(2012)
Literature Reference DOI 10.1002/mrc.3864
Solvent CH3CN:CD3CN
Source File Reference UWLU82343