| SpectraBase Compound ID | BkLfloY9qqr |
|---|---|
| InChI | InChI=1S/C21H27N7O13P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)13(29)10(39-21)5-38-43(36,37)41-42(34,35)6-11-14(30)15(31)20(40-11)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11+,13-,14+,15+,16-,20+,21-/m0/s1/i27+1 |
| InChIKey | YWBUHBLSYWZYGF-YYGHNSHNSA-O |
| Mol Weight | 649.43 g/mol |
| Molecular Formula | C21H28N615NO13P2 |
| Exact Mass | 649.119068 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EvYkvZAUtX |
|---|---|
| Name | NICOTINAMIDE-ADENIN-DINUCLEOTIDE;NADH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26N615NO13P2 |
| InChI | InChI=1S/C21H27N7O13P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)13(29)10(39-21)5-38-43(36,37)41-42(34,35)6-11-14(30)15(31)20(40-11)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11+,13-,14+,15+,16-,20+,21-/m0/s1/i27+1 |
| InChIKey | YWBUHBLSYWZYGF-YYGHNSHNSA-O |
| Literature Reference Author | N.J.OPPENHEIMER,R.M.DAVIDSON |
| Literature Reference Citation | ORG.MAGN.RES.,13,14(1980) |
| Literature Reference DOI | 10.1002/mrc.1270130104 |
| Solvent | D2O;70%MEOH |
| Source File Reference | UWCS18337 |