| SpectraBase Compound ID | CF5YtB4QW4o |
|---|---|
| InChI | InChI=1S/C11H17BrN5O12P3/c12-11(31(22,23)29-32(24,25)26)30(20,21)27-1-4-6(18)7(19)10(28-4)17-3-16-5-8(13)14-2-15-9(5)17/h2-4,6-7,10-11,18-19H,1H2,(H,20,21)(H,22,23)(H2,13,14,15)(H2,24,25,26)/t4-,6-,7-,10-,11?/m1/s1 |
| InChIKey | SZDDAIIYYHYDHQ-XSOVWSCMSA-N |
| Mol Weight | 584.11 g/mol |
| Molecular Formula | C11H17BrN5O12P3 |
| Exact Mass | 582.926995 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVGJg2vbfyL |
|---|---|
| Name | PYROPHOSPHORYL(BROMO)METHYL-O-(ADENOSIN-5'-YL)PHOSPHONIC ACID(DIASTEREOMER MIXTURE) |
| Comments | , NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H17BrN5O12P3 |
| InChI | InChI=1S/C11H17BrN5O12P3/c12-11(31(22,23)29-32(24,25)26)30(20,21)27-1-4-6(18)7(19)10(28-4)17-3-16-5-8(13)14-2-15-9(5)17/h2-4,6-7,10-11,18-19H,1H2,(H,20,21)(H,22,23)(H2,13,14,15)(H2,24,25,26)/t4-,6-,7-,10-,11?/m1/s1 |
| InChIKey | SZDDAIIYYHYDHQ-XSOVWSCMSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | A.I.BIRYUKOVA, N.B.TARUSOVA, S.G.AMONTOV, T.I.OSIPOVA, E.V.GORYACHENKOVA,A.G.RABINKOV (1985) Bioorganich.Khim.(Russ. Lang.): v.11, N5, 598-604. |
| NMR Standard | PO(OCH3)3 |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |