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THYMIDIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT

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THYMIDIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT
SpectraBase Compound ID JaTioRA1fq5
InChI InChI=1S/C10H15N2O7PS.2H3N/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21);2*1H3/t6-,7+,8+;;/m0../s1
InChIKey DAPYCXIQVLEEEO-ZJWYQBPBSA-N
Mol Weight 364.269 g/mol
Molecular Formula C10H13N4O7PS
Exact Mass 364.024257 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aa9GEEBAsWr
Name THYMIDIN-5'-YL_PHOSPHOROTHIOATE_AMMONIUM_SALT
Compound Number 5D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13N4O7PS
InChI InChI=1S/C10H15N2O7PS.2H3N/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21);2*1H3/t6-,7+,8+;;/m0../s1
InChIKey DAPYCXIQVLEEEO-ZJWYQBPBSA-N
Literature Reference Author J.JANKOWSKA,A.SOBKOWSKA,J.CIESLAK,M.SOBKOWSKI,A.KRASZEWSKI,J .STAWINSKI,D.SHUGAR
Literature Reference Citation J.ORG.CHEM.,63,8150(1998)
Literature Reference DOI 10.1021/jo980491u
Solvent H2O:NAOD;PH=8
Source File Reference UWMZ26382