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3'-O-ACETYL-5'-O-(5'-O-PHOSPHORYLDEOXYTHYMID-3-YLOXYPHOSPHORYL)DEOXYTHYMIDINE, BIS(TRIETHYLAMMONIUM SALT)
SpectraBase Compound ID BoiJCkilCSA
InChI InChI=1S/C22H30N4O16P2.2C6H15N/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31;2*1-4-7(5-2)6-3/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34);2*4-6H2,1-3H3/t13-,14-,15+,16+,17+,18+;;/m0../s1
InChIKey CEHULHRTNJOCAS-GNZMVSIHSA-N
Mol Weight 870.83 g/mol
Molecular Formula C34H60N6O16P2
Exact Mass 870.354104 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuYJaAD7dUl
Name 3'-O-ACETYL-5'-O-(5'-O-PHOSPHORYLDEOXYTHYMID-3-YLOXYPHOSPHORYL)DEOXYTHYMIDINE, BIS(TRIETHYLAMMONIUM SALT)
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H60N6O16P2
InChI InChI=1S/C22H30N4O16P2.2C6H15N/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31;2*1-4-7(5-2)6-3/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34);2*4-6H2,1-3H3/t13-,14-,15+,16+,17+,18+;;/m0../s1
InChIKey CEHULHRTNJOCAS-GNZMVSIHSA-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 C3H8O propanol