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5'-O-PIVALOYLTHYMIDINE_3'-O-(2-METHOXYETHYL)-PHOSPHOROTHIOATE;FASTER_MIGRATING_ISOMER
SpectraBase Compound ID CzadEgVLhRc
InChI InChI=1S/C18H29N2O9PS/c1-11-9-20(17(23)19-15(11)21)14-8-12(29-30(24,31)27-7-6-25-5)13(28-14)10-26-16(22)18(2,3)4/h9,12-14H,6-8,10H2,1-5H3,(H,24,31)(H,19,21,23)/t12-,13+,14+,30?/m0/s1
InChIKey QGTDOVMJGVWNFB-CMXKDALQSA-N
Mol Weight 480.47 g/mol
Molecular Formula C18H29N2O9PS
Exact Mass 480.133139 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16NMV3XHbxE
Name 5'-O-PIVALOYLTHYMIDINE_3'-O-(2-METHOXYETHYL)-PHOSPHOROTHIOATE;SLOWER_MIGRATING_ISOMER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28N2O9PS
InChI InChI=1S/C18H29N2O9PS/c1-11-9-20(17(23)19-15(11)21)14-8-12(29-30(24,31)27-7-6-25-5)13(28-14)10-26-16(22)18(2,3)4/h9,12-14H,6-8,10H2,1-5H3,(H,24,31)(H,19,21,23)/t12-,13+,14+,30?/m0/s1
InChIKey QGTDOVMJGVWNFB-CMXKDALQSA-N
Literature Reference Author M.ORA,E.MAEKI,P.POIJAERVI,K.NEUVONEN,M.OIVANEN,H.LOENNBERG
Literature Reference Citation J.CHEM.SOC.PERKIN-2,881(2001)
Literature Reference DOI 10.1039/b101754n
Solvent DMSO-D6
Source File Reference UWMZ20115