| SpectraBase Compound ID | Bep0hNihPG7 |
|---|---|
| InChI | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)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)/t10?,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
| InChIKey | BAWFJGJZGIEFAR-ANJHZYCWSA-N |
| Mol Weight | 663.43 g/mol |
| Molecular Formula | C21H27N7O14P2 |
| Exact Mass | 663.109123 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3AmtG3l0xOq |
|---|---|
| Name | β-Nicotinamide adenine dinucleotide |
| Source of Sample | Sigma-Aldrich Company LLC |
| Catalog Number | N1511 |
| Lot Number | 63H7825 |
| CAS Registry Number | 53-84-9 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27N7O14P2 |
| InChI | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)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)/t10?,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
| InChIKey | BAWFJGJZGIEFAR-ANJHZYCWSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 663.430 g/mol |
| SMILES | O[C@]1([C@@](O[C@](COP(OP(OCC2O[C@@]([n+]3cccc(C(N)=O)c3)([C@@]([C@@]2(O)[H])(O)[H])[H])(=O)[O-])(=O)O)([C@]1(O)[H])[H])([n]1c2ncnc(c2nc1)N)[H])[H] |
| Scan Speed (number) | 5 |
| Synonyms | β-NAD |
| Technique | KBr0 |