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NICOTINAMIDE-ADENIN-DINUCLEOTIDE;NADH
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

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AsRaZSU0k4
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;PD=7
Source File Reference UWCS18335