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(E)-1-[2-CYANO-2-(PYRIDIN-2-YL-SULFONYL)-VINYL]-UREA
SpectraBase Compound ID KlZvfIno1VL
InChI InChI=1S/C9H8N4O3S/c10-5-7(6-13-9(11)14)17(15,16)8-3-1-2-4-12-8/h1-4,6H,(H3,11,13,14)/b7-6+
InChIKey CWUJCDAKVLTIEG-VOTSOKGWSA-N
Mol Weight 252.25 g/mol
Molecular Formula C9H8N4O3S
Exact Mass 252.031711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QZwaMBd0GY
Name (E)-1-[2-CYANO-2-(PYRIDIN-2-YL-SULFONYL)-VINYL]-UREA
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O3S
InChI InChI=1S/C9H8N4O3S/c10-5-7(6-13-9(11)14)17(15,16)8-3-1-2-4-12-8/h1-4,6H,(H3,11,13,14)/b7-6+
InChIKey CWUJCDAKVLTIEG-VOTSOKGWSA-N
Literature Reference Author A.P.SCHUETZ,S.LOCHER,B.BERNET,B.ILLARIONOV,M.FISCHER,A.BACHE R,F.DIEDERICH
Literature Reference Citation EUR.J.ORG.CHEM.,2013,880(2013)
Literature Reference DOI 10.1002/ejoc.201201454
Molecular Weight 252.248 g/mol
Solvent DMSO-D6
Source File Reference UWBT17456