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3'-O-ACETYLDEOXYTHYMIDINE-5'-1,2,4-TRIAZOLIDO(PARA-CHLOROPHENYL)PHOSPHATE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID HXaiLw3kzxf
InChI InChI=1S/C20H21ClN5O8P/c1-12-8-25(20(29)24-19(12)28)18-7-16(32-13(2)27)17(33-18)9-31-35(30,26-11-22-10-23-26)34-15-5-3-14(21)4-6-15/h3-6,8,10-11,16-18H,7,9H2,1-2H3,(H,24,28,29)/t16-,17+,18+,35?/m0/s1
InChIKey MHPXUVVFQAQINH-IYKQBRMZSA-N
Mol Weight 525.84 g/mol
Molecular Formula C20H21ClN5O8P
Exact Mass 525.081627 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KM6kQ08psob
Name 3'-O-ACETYLDEOXYTHYMIDINE-5'-1,2,4-TRIAZOLIDO(PARA-CHLOROPHENYL)PHOSPHATE (DIASTEREOMER MIXTURE)
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H21ClN5O8P
InChI InChI=1S/C20H21ClN5O8P/c1-12-8-25(20(29)24-19(12)28)18-7-16(32-13(2)27)17(33-18)9-31-35(30,26-11-22-10-23-26)34-15-5-3-14(21)4-6-15/h3-6,8,10-11,16-18H,7,9H2,1-2H3,(H,24,28,29)/t16-,17+,18+,35?/m0/s1
InChIKey MHPXUVVFQAQINH-IYKQBRMZSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine