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(+/-)-N-[3-[1-(THIOLAN-2-YL)-CYTOSIN-5-YL]-PROP-2-YN-1-YL]-OXETANE-3-SULFONAMIDE

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(+/-)-N-[3-[1-(THIOLAN-2-YL)-CYTOSIN-5-YL]-PROP-2-YN-1-YL]-OXETANE-3-SULFONAMIDE
SpectraBase Compound ID ETV1Alt5ET5
InChI InChI=1S/C14H18N4O4S2/c15-13-10(3-1-5-16-24(20,21)11-8-22-9-11)7-18(14(19)17-13)12-4-2-6-23-12/h7,11-12,16H,2,4-6,8-9H2,(H2,15,17,19)
InChIKey JRHYYEFYBHCCNT-UHFFFAOYSA-N
Mol Weight 370.44 g/mol
Molecular Formula C14H18N4O4S2
Exact Mass 370.076947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Yck5x37RN4
Name (+/-)-N-[3-[1-(THIOLAN-2-YL)-CYTOSIN-5-YL]-PROP-2-YN-1-YL]-OXETANE-3-SULFONAMIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18N4O4S2
InChI InChI=1S/C14H18N4O4S2/c15-13-10(3-1-5-16-24(20,21)11-8-22-9-11)7-18(14(19)17-13)12-4-2-6-23-12/h7,11-12,16H,2,4-6,8-9H2,(H2,15,17,19)
InChIKey JRHYYEFYBHCCNT-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 370.441 g/mol
Solvent CDCl3:CD3OD=5:1
Source File Reference UWBT17441