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DEOXYTHYMIDINE, 3'-O-PHENYLPHOSPHATE, 5'-PHOSPHATE,BIS(TRIETHYLAMMONIUM) SALT
SpectraBase Compound ID HKDaAF2u8RB
InChI InChI=1S/C16H20N2O11P2.2C6H15N/c1-10-8-18(16(20)17-15(10)19)14-7-12(13(27-14)9-26-30(21,22)23)29-31(24,25)28-11-5-3-2-4-6-11;2*1-4-7(5-2)6-3/h2-6,8,12-14H,7,9H2,1H3,(H,24,25)(H,17,19,20)(H2,21,22,23);2*4-6H2,1-3H3/t12-,13+,14+;;/m0../s1
InChIKey QONYJMDIBZTWAP-BCIMQBNMSA-N
Mol Weight 680.67 g/mol
Molecular Formula C28H50N4O11P2
Exact Mass 680.295132 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIhUIC6MRnn
Name DEOXYTHYMIDINE, 3'-O-PHENYLPHOSPHATE, 5'-PHOSPHATE,BIS(TRIETHYLAMMONIUM) SALT
Comments , PH=8. SCALE INVERTED (FROM REFERENCE TEXT)!
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H50N4O11P2
InChI InChI=1S/C16H20N2O11P2.2C6H15N/c1-10-8-18(16(20)17-15(10)19)14-7-12(13(27-14)9-26-30(21,22)23)29-31(24,25)28-11-5-3-2-4-6-11;2*1-4-7(5-2)6-3/h2-6,8,12-14H,7,9H2,1H3,(H,24,25)(H,17,19,20)(H2,21,22,23);2*4-6H2,1-3H3/t12-,13+,14+;;/m0../s1
InChIKey QONYJMDIBZTWAP-BCIMQBNMSA-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 H2O water