| SpectraBase Compound ID | JVd2Yw1CfQi |
|---|---|
| InChI | InChI=1S/C12H22N7O12P3/c13-1-2-18-32(22,23)30-34(26,27)31-33(24,25)28-3-6-8(20)9(21)12(29-6)19-5-17-7-10(14)15-4-16-11(7)19/h4-6,8-9,12,20-21H,1-3,13H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,18,22,23)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | KIBKYMVZPBPDNE-WOUKDFQISA-N |
| Mol Weight | 549.27 g/mol |
| Molecular Formula | C12H22N7O12P3 |
| Exact Mass | 549.05393 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6hlpO3laBI9 |
|---|---|
| Name | ADENOSINE-5'-TRIPHOSPHATE, 2-AMINOETHYLAMIDE |
| Comments | , DMSO:H2O=1:1. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H22N7O12P3 |
| InChI | InChI=1S/C12H22N7O12P3/c13-1-2-18-32(22,23)30-34(26,27)31-33(24,25)28-3-6-8(20)9(21)12(29-6)19-5-17-7-10(14)15-4-16-11(7)19/h4-6,8-9,12,20-21H,1-3,13H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,18,22,23)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | KIBKYMVZPBPDNE-WOUKDFQISA-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 | C2H6SO/H2O |