| SpectraBase Compound ID | 8RH6dDz0BOZ |
|---|---|
| InChI | InChI=1S/C16H21N6O12P3/c17-14-11-15(19-7-18-14)22(8-20-11)16-13(24)12(23)10(32-16)6-31-36(27,28)34-37(29,30)33-35(25,26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,21,25,26)/t10-,12-,13-,16-/m1/s1 |
| InChIKey | WGONRKWYOCBBTI-XNIJJKJLSA-N |
| Mol Weight | 582.3 g/mol |
| Molecular Formula | C16H21N6O12P3 |
| Exact Mass | 582.043031 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DgsOyl7jN3 |
|---|---|
| Name | ADENOSINE-5'-TRIPHOSPHATE, ANILIDE |
| Comments | , PH=11. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H21N6O12P3 |
| InChI | InChI=1S/C16H21N6O12P3/c17-14-11-15(19-7-18-14)22(8-20-11)16-13(24)12(23)10(32-16)6-31-36(27,28)34-37(29,30)33-35(25,26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,21,25,26)/t10-,12-,13-,16-/m1/s1 |
| InChIKey | WGONRKWYOCBBTI-XNIJJKJLSA-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 |