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(+/-)-N(1)-(4-HYDROXY-1,2-BUTADIEN-1-YL)-CYTOSINE;CYTALLENE
SpectraBase Compound ID 5AY7RlbNxKb
InChI InChI=1S/C8H9N3O2/c9-7-3-5-11(8(13)10-7)4-1-2-6-12/h2-5,12H,6H2,(H2,9,10,13)
InChIKey WBOPPXMLTYJKEO-UHFFFAOYSA-N
Mol Weight 179.18 g/mol
Molecular Formula C8H9N3O2
Exact Mass 179.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtjOaS1QRv8
Name (+/-)-N(1)-(4-HYDROXY-1,2-BUTADIEN-1-YL)-CYTOSINE;CYTALLENE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N3O2
InChI InChI=1S/C8H9N3O2/c9-7-3-5-11(8(13)10-7)4-1-2-6-12/h2-5,12H,6H2,(H2,9,10,13)
InChIKey WBOPPXMLTYJKEO-UHFFFAOYSA-N
Literature Reference Author S.PHADTARE,J.ZEMLICKA
Literature Reference Citation J.AM.CHEM.SOC.,111,5925(1989)
Literature Reference DOI 10.1021/ja00197a063
Molecular Weight 179.178 g/mol
Solvent DMSO-D6
Source File Reference UWCS12775