| SpectraBase Compound ID | VJwb6FTtRP |
|---|---|
| InChI | InChI=1S/C8H9N3O2/c1-6(12)13-11-8(9)7-3-2-4-10-5-7/h2-5H,1H3,(H2,9,11) |
| InChIKey | PVLUBQFJUMTXOO-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 | tteBevnQzR |
|---|---|
| Name | 3-Pyridylamidoxime, o-acetyl- |
| 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)13-11-8(9)7-3-2-4-10-5-7/h2-5H,1H3,(H2,9,11) |
| InChIKey | PVLUBQFJUMTXOO-UHFFFAOYSA-N |
| Molecular Weight | 179.179 g/mol |
| SMILES | C1(\C(=N\OC(C)=O)N)=CC=CN=C1 |