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(RP)-5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(4-CHLOROPHENYL)-N-[(S)-METHOXYALANYNYL]-PHOSPHORAMIDATE
SpectraBase Compound ID 8kZXAiR4c9q
InChI InChI=1S/C20H23ClN3O8P/c1-12-10-24(20(27)22-18(12)25)17-9-8-16(31-17)11-30-33(28,23-13(2)19(26)29-3)32-15-6-4-14(21)5-7-15/h4-10,13,16-17H,11H2,1-3H3,(H,23,28)(H,22,25,27)/t13-,16-,17+,33?/m0/s1
InChIKey QMHCERIZINJQIK-MIOXLMGNSA-N
Mol Weight 499.84 g/mol
Molecular Formula C20H23ClN3O8P
Exact Mass 499.091129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8HC7JhJuR5
Name (RP)-5'-O-(3'-DEOXY-2',3'-DIDEHYDROTHYMIDINYL)-O-(4-CHLOROPHENYL)-N-[(S)-METHOXYALANYNYL]-PHOSPHORAMIDATE
Compound Number 16J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23ClN3O8P
InChI InChI=1S/C20H23ClN3O8P/c1-12-10-24(20(27)22-18(12)25)17-9-8-16(31-17)11-30-33(28,23-13(2)19(26)29-3)32-15-6-4-14(21)5-7-15/h4-10,13,16-17H,11H2,1-3H3,(H,23,28)(H,22,25,27)/t13-,16-,17+,33?/m0/s1
InChIKey QMHCERIZINJQIK-MIOXLMGNSA-N
Literature Reference Author C.A.ROMAN,P.WASSERTHAL,J.BALZARINI,C.MEIER
Literature Reference Citation EUR.J.ORG.CHEM.,2011,4899(2011)
Molecular Weight 499.845 g/mol
Solvent CDCl3
Source File Reference UWBT21254