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1-[2-(3-BENZENSULFONYLFUROXAN-4-YLOXY)-ETHYL]-2-CYANO-3-(3-PYRIDINYL)-GUANIDINE
SpectraBase Compound ID 7wgeGemEF2M
InChI InChI=1S/C17H15N7O5S/c18-12-21-17(22-13-5-4-8-19-11-13)20-9-10-28-15-16(24(25)29-23-15)30(26,27)14-6-2-1-3-7-14/h1-8,11H,9-10H2,(H2,20,21,22)
InChIKey NAPUMDCBYSEKJP-UHFFFAOYSA-N
Mol Weight 429.41 g/mol
Molecular Formula C17H15N7O5S
Exact Mass 429.085538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BFpvZmZh08G
Name 1-[2-(3-BENZENSULFONYLFUROXAN-4-YLOXY)-ETHYL]-2-CYANO-3-(3-PYRIDINYL)-GUANIDINE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15N7O5S
InChI InChI=1S/C17H15N7O5S/c18-12-21-17(22-13-5-4-8-19-11-13)20-9-10-28-15-16(24(25)29-23-15)30(26,27)14-6-2-1-3-7-14/h1-8,11H,9-10H2,(H2,20,21,22)
InChIKey NAPUMDCBYSEKJP-UHFFFAOYSA-N
Literature Reference Author D.BOSCHI,C.CENA,A.D.STILO,R.FRUTTERO,A.GASCO
Literature Reference Citation BIOORG.MED.CHEM.,8,1727(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00098-5
Molecular Weight 429.410 g/mol
Solvent DMSO-D6
Source File Reference UWVN20341