| SpectraBase Compound ID | I8Aed7jX6ng |
|---|---|
| InChI | InChI=1S/C17H23N6O12P3/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(33-17)7-32-37(28,29)35-38(30,31)34-36(26,27)22-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1 |
| InChIKey | XNYHAYDDAXMWOW-LSCFUAHRSA-N |
| Mol Weight | 596.32 g/mol |
| Molecular Formula | C17H23N6O12P3 |
| Exact Mass | 596.058681 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESHN2papF14 |
|---|---|
| Name | ADENOSINE-5'-TRIPHOSPHATE, BENZYLAMIDE |
| Comments | , DMSO:PY=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 | C17H23N6O12P3 |
| InChI | InChI=1S/C17H23N6O12P3/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(33-17)7-32-37(28,29)35-38(30,31)34-36(26,27)22-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1 |
| InChIKey | XNYHAYDDAXMWOW-LSCFUAHRSA-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/C5H5N |