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PROTONATED

View entire compound with spectra: 2 NMR

PROTONATED
SpectraBase Compound ID 5fkjpkC5ViJ
InChI InChI=1S/C20H17N5O2S.C2HF3O2/c1-16-12-14-19(15-13-16)28(26,27)23-20-21-24(17-8-4-2-5-9-17)25(22-20)18-10-6-3-7-11-18;3-2(4,5)1(6)7/h2-15H,1H3;(H,6,7)/q+1;/p-1
InChIKey TWFRPFLIPCUOBH-UHFFFAOYSA-M
Mol Weight 504.46 g/mol
Molecular Formula C22H17F3N5O4S
Exact Mass 504.095335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cz0CrPDP8y
Name PROTONATED
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17F3N5O4S
InChI InChI=1S/C20H17N5O2S.C2HF3O2/c1-16-12-14-19(15-13-16)28(26,27)23-20-21-24(17-8-4-2-5-9-17)25(22-20)18-10-6-3-7-11-18;3-2(4,5)1(6)7/h2-15H,1H3;(H,6,7)/q+1;/p-1
InChIKey TWFRPFLIPCUOBH-UHFFFAOYSA-M
Literature Reference Author W.KOZMINSKI,J.JAZWINSKI,L.STEFANIAK
Literature Reference Citation MAGN.RES.CHEM.,31,200(1993)
Literature Reference DOI 10.1002/mrc.1260310209
Molecular Weight 504.463 g/mol
Solvent CF3COOH
Source File Reference UWVP5241