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1-[3,5-DI-O-ACETYL-2-DEOXY-2-(S)-FLUORO-2-(METHYLSULFONYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDINE-2-ONE

View entire compound with spectra: 2 NMR

1-[3,5-DI-O-ACETYL-2-DEOXY-2-(S)-FLUORO-2-(METHYLSULFONYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDINE-2-ONE
SpectraBase Compound ID AIvPHpzD7iy
InChI InChI=1S/C16H18FN5O8S/c1-9(23)28-6-11-13(29-10(2)24)16(17,31(3,26)27)14(30-11)21-5-4-12(20-15(21)25)22-8-18-7-19-22/h4-5,7-8,11,13-14H,6H2,1-3H3/t11-,13-,14-,16+/m0/s1
InChIKey QBRFFHTWEMVPDD-ATVPRXPUSA-N
Mol Weight 459.41 g/mol
Molecular Formula C16H18FN5O8S
Exact Mass 459.086012 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gghGQKt1gj
Name 1-[3,5-DI-O-ACETYL-2-DEOXY-2-(S)-FLUORO-2-(METHYLSULFONYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4-(1,2,4-TRIAZOL-1-YL)-PYRIMIDINE-2-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18FN5O8S
InChI InChI=1S/C16H18FN5O8S/c1-9(23)28-6-11-13(29-10(2)24)16(17,31(3,26)27)14(30-11)21-5-4-12(20-15(21)25)22-8-18-7-19-22/h4-5,7-8,11,13-14H,6H2,1-3H3/t11-,13-,14-,16+/m0/s1
InChIKey QBRFFHTWEMVPDD-ATVPRXPUSA-N
Literature Reference Author M.J.ROBINS,K.B.MULLAH,S.F.WNUK,N.K.DALLEY
Literature Reference Citation J.ORG.CHEM.,57,2357(1992)
Literature Reference DOI 10.1021/jo00034a031
Solvent DMSO-D6
Source File Reference UWCS1454