| SpectraBase Compound ID | JP6YyWihvcT |
|---|---|
| InChI | InChI=1S/C42H43ClN3O12P.C6H15N/c1-26(2)54-25-36(47)44-35-22-23-46(41(49)45-35)39-38(57-40(48)32-12-8-9-13-33(32)43)37(58-59(50)51)34(56-39)24-55-42(27-10-6-5-7-11-27,28-14-18-30(52-3)19-15-28)29-16-20-31(53-4)21-17-29;1-4-7(5-2)6-3/h5-23,26,34,37-39,59H,24-25H2,1-4H3,(H,50,51)(H,44,45,47,49);4-6H2,1-3H3/t34-,37-,38-,39-;/m1./s1 |
| InChIKey | PQSSRWCQTWEJIS-LNOVSKLQSA-N |
| Mol Weight | 949.4 g/mol |
| Molecular Formula | C48H58ClN4O12P |
| Exact Mass | 948.347738 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSp8sZSBEW1 |
|---|---|
| Name | 4-ISOPROPOXYACETYL-5'-(PARA,PARA'-DIMETHOXYTRITYL)-2'-(2-CHLOROBENZOYL)CYTIDINE-3'-PHOSPHITE, TRIETHYLAMMONIUM SALT |
| Comments | , C5D5N:CDCL3=3:1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H58ClN4O12P |
| InChI | InChI=1S/C42H43ClN3O12P.C6H15N/c1-26(2)54-25-36(47)44-35-22-23-46(41(49)45-35)39-38(57-40(48)32-12-8-9-13-33(32)43)37(58-59(50)51)34(56-39)24-55-42(27-10-6-5-7-11-27,28-14-18-30(52-3)19-15-28)29-16-20-31(53-4)21-17-29;1-4-7(5-2)6-3/h5-23,26,34,37-39,59H,24-25H2,1-4H3,(H,50,51)(H,44,45,47,49);4-6H2,1-3H3/t34-,37-,38-,39-;/m1./s1 |
| InChIKey | PQSSRWCQTWEJIS-LNOVSKLQSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | E.ROZNERS, R.RENHOF, I.TSIELENS, V.KUMPIN'SH, E.BIZDENA (1992)Bioorganich.Khim.(Russ. Lang.): v.18, N2, 263-271. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C5D5N/CDCl3 |