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5'-TRITYLTHYMIDINE-3'-(2-TRIFLUOROACETAMIDOETHYL)PHOSPHITE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID HNvy0pR49lu
InChI InChI=1S/C33H33F3N3O8P/c1-22-20-39(31(42)38-29(22)40)28-19-26(47-48(43)45-18-17-37-30(41)33(34,35)36)27(46-28)21-44-32(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,20,26-28,48H,17-19,21H2,1H3,(H,37,41)(H,38,40,42)/t26-,27+,28+/m0/s1
InChIKey WCGCKBMTMXLKEQ-UPRLRBBYSA-N
Mol Weight 687.6 g/mol
Molecular Formula C33H33F3N3O8P
Exact Mass 687.195737 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2n7ddHlNb4q
Name 5'-TRITYLTHYMIDINE-3'-(2-TRIFLUOROACETAMIDOETHYL)PHOSPHITE(DIASTEREOMER MIXTURE)
Comments , C=0.1M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H33F3N3O8P
InChI InChI=1S/C33H33F3N3O8P/c1-22-20-39(31(42)38-29(22)40)28-19-26(47-48(43)45-18-17-37-30(41)33(34,35)36)27(46-28)21-44-32(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,20,26-28,48H,17-19,21H2,1H3,(H,37,41)(H,38,40,42)/t26-,27+,28+/m0/s1
InChIKey WCGCKBMTMXLKEQ-UPRLRBBYSA-N
Instrument Name Bruker HX-90
Literature Reference O.S.BASCHUK, V.F.ZARYTOVA, A.S.LEVINA (1988) Bioorganich.Khim.(Russ. Lang.):v.14, N5, 606-614.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine