| SpectraBase Compound ID | 6SwDLVvLY77 |
|---|---|
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i/hD |
| InChIKey | TWBYWOBDOCUKOW-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 | BtUtulMg5N6 |
|---|---|
| Name | Isonicotinic acid-D1 |
| Alternate Name(s) | Pyridine-4-carboxylic acid-D1 |
| CAS Registry Number | 52751-34-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H4DNO2 |
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i/hD |
| InChIKey | TWBYWOBDOCUKOW-DYCDLGHISA-N |
| Molecular Weight | 124.117 g/mol |
| SMILES | C(=O)(c1ccncc1)O[D] |
| SPLASH | splash10-0fk9-9800000000-57844539860d64c11e99 |
| Source of Spectrum | OS-5-273-0 |
| Wiley ID | 81053 |