| SpectraBase Compound ID | JqTZF2ADsFE |
|---|---|
| InChI | InChI=1S/C22H28FN7O13P2/c1-22(23)16(33)12(42-21(22)29-4-2-3-10(5-29)18(25)34)7-40-45(37,38)43-44(35,36)39-6-11-14(31)15(32)20(41-11)30-9-28-13-17(24)26-8-27-19(13)30/h2-5,8-9,11-12,14-16,20-21,31-33H,6-7H2,1H3,(H5-,24,25,26,27,34,35,36,37,38)/p+1/t11-,12-,14-,15-,16-,20-,21-,22-/m0/s1 |
| InChIKey | OQXCBXZXMJQTCT-MKDCGCMHSA-O |
| Mol Weight | 680.46 g/mol |
| Molecular Formula | C22H29FN7O13P2 |
| Exact Mass | 680.128261 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EX8vb6t2jW6 |
|---|---|
| Name | 2'-DEOXY-2'-FLUORO-2'-METHYL-BETA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H27FN7O13P2 |
| InChI | InChI=1S/C22H28FN7O13P2/c1-22(23)16(33)12(42-21(22)29-4-2-3-10(5-29)18(25)34)7-40-45(37,38)43-44(35,36)39-6-11-14(31)15(32)20(41-11)30-9-28-13-17(24)26-8-27-19(13)30/h2-5,8-9,11-12,14-16,20-21,31-33H,6-7H2,1H3,(H5-,24,25,26,27,34,35,36,37,38)/p+1/t11-,12-,14-,15-,16-,20-,21-,22-/m0/s1 |
| InChIKey | OQXCBXZXMJQTCT-MKDCGCMHSA-O |
| Literature Reference Author | S.WANG,W.ZHU,X.WANG,J.LI,K.ZHANG,L.ZHANG,Y.J.ZHAO,H.C.LEE,L. ZHANG |
| Literature Reference Citation | MOLECULES,19,15754(2014) |
| Literature Reference DOI | 10.3390/molecules191015754 |
| Solvent | D2O |
| Source File Reference | UWLU81447 |