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5'-O-METHOXYTRITYLDEOXYTHYMIDINE-3'-ORTHO-CHLOROPHENYL(ANILIDO)PHOSPHATE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID EvEzonLZ7FB
InChI InChI=1S/C42H39ClN3O8P/c1-29-27-46(41(48)44-40(29)47)39-26-37(54-55(49,45-33-18-10-5-11-19-33)53-36-21-13-12-20-35(36)43)38(52-39)28-51-42(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-22-24-34(50-2)25-23-32/h3-25,27,37-39H,26,28H2,1-2H3,(H,45,49)(H,44,47,48)/t37-,38+,39+,55?/m0/s1
InChIKey MJGMGUJIVIJXJT-CWXYRQPOSA-N
Mol Weight 780.2 g/mol
Molecular Formula C42H39ClN3O8P
Exact Mass 779.21633 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6qmEtRHyDe
Name 5'-O-METHOXYTRITYLDEOXYTHYMIDINE-3'-ORTHO-CHLOROPHENYL(ANILIDO)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 C42H39ClN3O8P
InChI InChI=1S/C42H39ClN3O8P/c1-29-27-46(41(48)44-40(29)47)39-26-37(54-55(49,45-33-18-10-5-11-19-33)53-36-21-13-12-20-35(36)43)38(52-39)28-51-42(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-22-24-34(50-2)25-23-32/h3-25,27,37-39H,26,28H2,1-2H3,(H,45,49)(H,44,47,48)/t37-,38+,39+,55?/m0/s1
InChIKey MJGMGUJIVIJXJT-CWXYRQPOSA-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 CDCl3 chloroform-d