| SpectraBase Compound ID | BRpPRQSzTjI |
|---|---|
| InChI | InChI=1S/C20H27N4O12P/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(35-15)8-33-37(31,32)36-12-4-16(34-13(12)7-25)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+/m0/s1 |
| InChIKey | FCXGCSBZKOHCLB-KPRKPIBOSA-N |
| Mol Weight | 546.43 g/mol |
| Molecular Formula | C20H27N4O12P |
| Exact Mass | 546.136309 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyKvcBcWnPd |
|---|---|
| Name | 5'-(DEOXYTHYMID-3-YLOXYPHOSPHORYL)DEOXYTHYMIDINE |
| Comments | , PH=7. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H27N4O12P |
| InChI | InChI=1S/C20H27N4O12P/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(35-15)8-33-37(31,32)36-12-4-16(34-13(12)7-25)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+/m0/s1 |
| InChIKey | FCXGCSBZKOHCLB-KPRKPIBOSA-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 |