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5'-METHOXYTRITYLDEOXYTHYMIDINE-3'-S-METHYL-O-(2-CHLOROPHENYL)THIOPHOSPHATE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID BwFOXwJDCXo
InChI InChI=1S/C36H34ClN2O7PS/c1-25-23-39(35(41)38-34(25)40)33-22-31(46-47(42,48-2)45-30-21-13-12-20-29(30)37)32(44-33)24-43-36(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-21,23,31-33H,22,24H2,1-2H3,(H,38,40,41)/t31-,32+,33+,47?/m0/s1
InChIKey DLBGBVJBGRISJF-YOQBWBSOSA-N
Mol Weight 705.2 g/mol
Molecular Formula C36H34ClN2O7PS
Exact Mass 704.151287 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14bFEAxgz4C
Name 5'-METHOXYTRITYLDEOXYTHYMIDINE-3'-S-METHYL-O-(2-CHLOROPHENYL)THIOPHOSPHATE (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 C36H34ClN2O7PS
InChI InChI=1S/C36H34ClN2O7PS/c1-25-23-39(35(41)38-34(25)40)33-22-31(46-47(42,48-2)45-30-21-13-12-20-29(30)37)32(44-33)24-43-36(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-21,23,31-33H,22,24H2,1-2H3,(H,38,40,41)/t31-,32+,33+,47?/m0/s1
InChIKey DLBGBVJBGRISJF-YOQBWBSOSA-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 not reported