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(+/-)-5-(PYRIDIN-2-YLSULFONYL)-1-(THIOLAN-2-YL)-CYTOSINE
SpectraBase Compound ID I6h3tvjNsP0
InChI InChI=1S/C13H14N4O3S2/c14-12-9(22(19,20)10-4-1-2-6-15-10)8-17(13(18)16-12)11-5-3-7-21-11/h1-2,4,6,8,11H,3,5,7H2,(H2,14,16,18)
InChIKey NTDPBKYEYFKMOF-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C13H14N4O3S2
Exact Mass 338.050733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsSiRrBOv7G
Name (+/-)-5-(PYRIDIN-2-YLSULFONYL)-1-(THIOLAN-2-YL)-CYTOSINE
Compound Number 6
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Formula C13H14N4O3S2
InChI InChI=1S/C13H14N4O3S2/c14-12-9(22(19,20)10-4-1-2-6-15-10)8-17(13(18)16-12)11-5-3-7-21-11/h1-2,4,6,8,11H,3,5,7H2,(H2,14,16,18)
InChIKey NTDPBKYEYFKMOF-UHFFFAOYSA-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 338.399 g/mol
Solvent CDCl3
Source File Reference UWBT17444