![(-)-nicotinic acid, [4-(beta-D-glucopyranosyloxy)-3-methoxybenzylidene]hydrazide](/api/spectrum/2q62Y9GTTUX/structure.png?h=300&w=458 "(-)-nicotinic acid, [4-(beta-D-glucopyranosyloxy)-3-methoxybenzylidene]hydrazide")
| SpectraBase Compound ID | 4BE7zPw6FTX |
|---|---|
| InChI | InChI=1S/C20H23N3O8/c1-29-14-7-11(8-22-23-19(28)12-3-2-6-21-9-12)4-5-13(14)30-20-18(27)17(26)16(25)15(10-24)31-20/h2-9,15-18,20,24-27H,10H2,1H3,(H,23,28)/b22-8+/t15-,16-,17+,18-,20-/m1/s1 |
| InChIKey | NRNVWSPHNQOQLN-XAMMNBSVSA-N |
| Mol Weight | 433.42 g/mol |
| Molecular Formula | C20H23N3O8 |
| Exact Mass | 433.148515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2q62Y9GTTUX |
|---|---|
| Name | (-)-nicotinic acid, [4-(beta-D-glucopyranosyloxy)-3-methoxybenzylidene]hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 433.148514705 u |
| Formula | C20H23N3O8 |
| InChI | InChI=1S/C20H23N3O8/c1-29-14-7-11(8-22-23-19(28)12-3-2-6-21-9-12)4-5-13(14)30-20-18(27)17(26)16(25)15(10-24)31-20/h2-9,15-18,20,24-27H,10H2,1H3,(H,23,28)/b22-8+/t15-,16-,17+,18-,20-/m1/s1 |
| InChIKey | NRNVWSPHNQOQLN-XAMMNBSVSA-N |
| Molecular Weight | 433.417 g/mol |
| SMILES | OC[C@]1(O[C@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(OC=1C=CC(=CC1OC)\C=N\NC(C=1C=CC=NC1)=O)[H])[H] |