| SpectraBase Compound ID | CugDXLqfmPz |
|---|---|
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i/hD |
| InChIKey | PVNIIMVLHYAWGP-DYCDLGHISA-N |
| Mol Weight | 124.12 g/mol |
| Molecular Formula | C6H4DNO2 |
| Exact Mass | 124.038305 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gz4SOcheTHe |
|---|---|
| Name | Nicotinic acid-D1 |
| CAS Registry Number | 53907-54-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H4DNO2 |
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i/hD |
| InChIKey | PVNIIMVLHYAWGP-DYCDLGHISA-N |
| Molecular Weight | 124.117 g/mol |
| SMILES | C(c1cnccc1)(=O)O[D] |
| SPLASH | splash10-0kor-9800000000-7d31fa2786dcb152530e |
| Source of Spectrum | OS-5-281-0 |
| Wiley ID | 81052 |