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DEOXYTHYMIDINE, 5'-BIS(CYANOETHYL)PHOSPHATE
SpectraBase Compound ID 3The7rPyYDP
InChI InChI=1S/C16H21N4O8P/c1-11-9-20(16(23)19-15(11)22)14-8-12(21)13(28-14)10-27-29(24,25-6-2-4-17)26-7-3-5-18/h9,12-14,21H,2-3,6-8,10H2,1H3,(H,19,22,23)/t12-,13+,14+/m0/s1
InChIKey UMRUGBLCOUZMJD-BFHYXJOUSA-N
Mol Weight 428.34 g/mol
Molecular Formula C16H21N4O8P
Exact Mass 428.109701 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ohVXL3gmun
Name DEOXYTHYMIDINE, 5'-BIS(CYANOETHYL)PHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
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Formula C16H21N4O8P
InChI InChI=1S/C16H21N4O8P/c1-11-9-20(16(23)19-15(11)22)14-8-12(21)13(28-14)10-27-29(24,25-6-2-4-17)26-7-3-5-18/h9,12-14,21H,2-3,6-8,10H2,1H3,(H,19,22,23)/t12-,13+,14+/m0/s1
InChIKey UMRUGBLCOUZMJD-BFHYXJOUSA-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 C5H5N pyridine