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DEOXYTHYMIDINE, 5'-CYANOETHYLPHOSPHATE

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DEOXYTHYMIDINE, 5'-CYANOETHYLPHOSPHATE
SpectraBase Compound ID 8CWEPRqWTXx
InChI InChI=1S/C13H18N3O8P/c1-8-6-16(13(19)15-12(8)18)11-5-9(17)10(24-11)7-23-25(20,21)22-4-2-3-14/h6,9-11,17H,2,4-5,7H2,1H3,(H,20,21)(H,15,18,19)/t9-,10+,11+/m0/s1
InChIKey XDNNEJWSAZXSNW-HBNTYKKESA-N
Mol Weight 375.27 g/mol
Molecular Formula C13H18N3O8P
Exact Mass 375.083152 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34M3tWdcoVZ
Name THYMIDINE-5'-(BETA-CYANOETHYL)PHOSPHORIC ACID
Comments , H2O:C5H5N=1:1, NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18N3O8P
InChI InChI=1S/C13H18N3O8P/c1-8-6-16(13(19)15-12(8)18)11-5-9(17)10(24-11)7-23-25(20,21)22-4-2-3-14/h6,9-11,17H,2,4-5,7H2,1H3,(H,20,21)(H,15,18,19)/t9-,10+,11+/m0/s1
InChIKey XDNNEJWSAZXSNW-HBNTYKKESA-N
Instrument Name Bruker HX-90
Literature Reference E.V.BAUSK, V.V.GORN, A.V.LEBEDEV (1985) Bioorganich.Khim.(Russ. Lang.): v.11,N6, 815-820.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O/PYRIDINE