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2'-DEOXYURIDIN-5'-YL_PHOSPHORODITHIOATE_DITRIETHYLAMMONIUM_SALT
SpectraBase Compound ID 7mfz2DOcR2C
InChI InChI=1S/C9H13N2O6PS2.2C6H15N/c12-5-3-8(11-2-1-7(13)10-9(11)14)17-6(5)4-16-18(15,19)20;2*1-4-7(5-2)6-3/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,19,20);2*4-6H2,1-3H3/t5-,6+,8+;;/m0../s1
InChIKey MLUSJIJBSXIYFV-CDNBRZBRSA-N
Mol Weight 542.69 g/mol
Molecular Formula C21H43N4O6PS2
Exact Mass 542.236164 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NJhax0Apiw
Name 2'-DEOXYURIDIN-5'-YL_PHOSPHORODITHIOATE_DITRIETHYLAMMONIUM_SALT
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H43N4O6PS2
InChI InChI=1S/C9H13N2O6PS2.2C6H15N/c12-5-3-8(11-2-1-7(13)10-9(11)14)17-6(5)4-16-18(15,19)20;2*1-4-7(5-2)6-3/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,19,20);2*4-6H2,1-3H3/t5-,6+,8+;;/m0../s1
InChIKey MLUSJIJBSXIYFV-CDNBRZBRSA-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 UWMZ26389