| SpectraBase Compound ID | 6XAq2jNzPAr |
|---|---|
| InChI | InChI=1S/C41H43N4O13P.C6H13N/c1-25-21-44(39(49)42-37(25)47)35-19-31(55-27(3)46)34(57-35)24-54-59(51,52)58-32-20-36(45-22-26(2)38(48)43-40(45)50)56-33(32)23-53-41(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30;7-6-4-2-1-3-5-6/h4-18,21-22,31-36H,19-20,23-24H2,1-3H3,(H,51,52)(H,42,47,49)(H,43,48,50);6H,1-5,7H2/t31-,32-,33+,34+,35+,36+;/m0./s1 |
| InChIKey | YLYQCMQQWFURQG-YYQDQYMZSA-N |
| Mol Weight | 930.0 g/mol |
| Molecular Formula | C47H56N5O13P |
| Exact Mass | 929.361224 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVFqxIdbQ9Z |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXYPHOSPHORYL)DEOXYTHYMIDINE, CYCLOHEXYLAMMONIUM 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 | C47H56N5O13P |
| InChI | InChI=1S/C41H43N4O13P.C6H13N/c1-25-21-44(39(49)42-37(25)47)35-19-31(55-27(3)46)34(57-35)24-54-59(51,52)58-32-20-36(45-22-26(2)38(48)43-40(45)50)56-33(32)23-53-41(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30;7-6-4-2-1-3-5-6/h4-18,21-22,31-36H,19-20,23-24H2,1-3H3,(H,51,52)(H,42,47,49)(H,43,48,50);6H,1-5,7H2/t31-,32-,33+,34+,35+,36+;/m0./s1 |
| InChIKey | YLYQCMQQWFURQG-YYQDQYMZSA-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 |