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5'-TRITYLDEOXYTHYMIDINE-3'-BENZYLAMIDO(1,2,4-TRIAZOLIDO)PHOSPHATE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID 978Jc1wqPhk
InChI InChI=1S/C38H37N6O6P/c1-28-24-43(37(46)42-36(28)45)35-22-33(50-51(47,44-27-39-26-40-44)41-23-29-14-6-2-7-15-29)34(49-35)25-48-38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-21,24,26-27,33-35H,22-23,25H2,1H3,(H,41,47)(H,42,45,46)/t33-,34+,35+,51?/m0/s1
InChIKey YGPYPPBRRWSRKZ-KNZOWJQWSA-N
Mol Weight 704.7 g/mol
Molecular Formula C38H37N6O6P
Exact Mass 704.25122 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdyBng8uGOn
Name 5'-TRITYLDEOXYTHYMIDINE-3'-BENZYLAMIDO(1,2,4-TRIAZOLIDO)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 C38H37N6O6P
InChI InChI=1S/C38H37N6O6P/c1-28-24-43(37(46)42-36(28)45)35-22-33(50-51(47,44-27-39-26-40-44)41-23-29-14-6-2-7-15-29)34(49-35)25-48-38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-21,24,26-27,33-35H,22-23,25H2,1H3,(H,41,47)(H,42,45,46)/t33-,34+,35+,51?/m0/s1
InChIKey YGPYPPBRRWSRKZ-KNZOWJQWSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (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