| SpectraBase Compound ID | CGNn3mXjbyK |
|---|---|
| InChI | InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13) |
| InChIKey | CVBGNAKQQUWBQV-UHFFFAOYSA-N |
| Mol Weight | 179.18 g/mol |
| Molecular Formula | C8H9N3O2 |
| Exact Mass | 179.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1H3m5i64sMn |
|---|---|
| Name | Isoniazid ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.069476540 u |
| Formula | C8H9N3O2 |
| InChI | InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13) |
| InChIKey | CVBGNAKQQUWBQV-UHFFFAOYSA-N |
| Molecular Weight | 179.179 g/mol |
| SMILES | C(NNC(=O)C)(C1=CC=NC=C1)=O |