| SpectraBase Compound ID | 8OIrGz2TZ1R |
|---|---|
| InChI | InChI=1S/C20H29ClN7O12P3/c1-27(7-6-21)13-4-2-12(3-5-13)8-26-41(31,32)39-43(35,36)40-42(33,34)37-9-14-16(29)17(30)20(38-14)28-11-25-15-18(22)23-10-24-19(15)28/h2-5,10-11,14,16-17,20,29-30H,6-9H2,1H3,(H,33,34)(H,35,36)(H2,22,23,24)(H2,26,31,32)/t14-,16-,17-,20-/m1/s1 |
| InChIKey | CLFQVMWOGTYGOS-WVSUBDOOSA-N |
| Mol Weight | 687.86 g/mol |
| Molecular Formula | C20H29ClN7O12P3 |
| Exact Mass | 687.077558 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25NLHDUMkS4 |
|---|---|
| Name | ADENOSINE-5'-TRIPHOSPHATE, PARA-(N-METHYL-N-2-CHLOROETHYLAMINO)BENZYLAMIDE |
| Comments | , DMSO:CH3OH=1:1. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H29ClN7O12P3 |
| InChI | InChI=1S/C20H29ClN7O12P3/c1-27(7-6-21)13-4-2-12(3-5-13)8-26-41(31,32)39-43(35,36)40-42(33,34)37-9-14-16(29)17(30)20(38-14)28-11-25-15-18(22)23-10-24-19(15)28/h2-5,10-11,14,16-17,20,29-30H,6-9H2,1H3,(H,33,34)(H,35,36)(H2,22,23,24)(H2,26,31,32)/t14-,16-,17-,20-/m1/s1 |
| InChIKey | CLFQVMWOGTYGOS-WVSUBDOOSA-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/CH4O |