| SpectraBase Compound ID | 1LlI07M3PjQ |
|---|---|
| InChI | InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)/i/hD |
| InChIKey | PMDHIMMPXRSDML-DYCDLGHISA-N |
| Mol Weight | 138.14 g/mol |
| Molecular Formula | C7H6DNO2 |
| Exact Mass | 138.053955 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IQnzTehDS0M |
|---|---|
| Name | .beta.-Methyl isonicotinic acid, deuterated at the carboxyl group |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H6DNO2 |
| InChI | InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)/i/hD |
| InChIKey | PMDHIMMPXRSDML-DYCDLGHISA-N |
| Molecular Weight | 138.144 g/mol |
| SMILES | C(c1cc(C)ncc1)(=O)O[D] |
| SPLASH | splash10-000l-9400000000-7b87179af900382d06a9 |
| Source of Spectrum | N2-1973-55-2 |
| Wiley ID | 1137159 |