| SpectraBase Compound ID | 7IYAOETfTi0 |
|---|---|
| InChI | InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3/i2D3 |
| InChIKey | OVLDWZNVBDRZNN-BMSJAHLVSA-N |
| Mol Weight | 170.18 g/mol |
| Molecular Formula | C8H6D3NO3 |
| Exact Mass | 170.077073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRWFBFPoYsI |
|---|---|
| Name | 3-Pyridinecarboxylic acid, 6-methoxy-, methyl-D3 ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.077073388 u |
| Formula | C8H6D3NO3 |
| InChI | InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3/i2D3 |
| InChIKey | OVLDWZNVBDRZNN-BMSJAHLVSA-N |
| Molecular Weight | 170.182 g/mol |
| SMILES | C1(C(=O)OC([D])([D])[D])=CN=C(C=C1)OC |