| SpectraBase Compound ID | AQYgrmBXYfg |
|---|---|
| InChI | InChI=1S/C18H19N3O3/c22-17(14-24-16-4-2-1-3-5-16)20-10-12-21(13-11-20)18(23)15-6-8-19-9-7-15/h1-9H,10-14H2 |
| InChIKey | SVWMMWVUIGGJIS-UHFFFAOYSA-N |
| Mol Weight | 325.37 g/mol |
| Molecular Formula | C18H19N3O3 |
| Exact Mass | 325.142641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GAYF9csWTPK |
|---|---|
| Name | 1-Isonicotinoyl-4-(phenoxyacetyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.142641481 u |
| Formula | C18H19N3O3 |
| InChI | InChI=1S/C18H19N3O3/c22-17(14-24-16-4-2-1-3-5-16)20-10-12-21(13-11-20)18(23)15-6-8-19-9-7-15/h1-9H,10-14H2 |
| InChIKey | SVWMMWVUIGGJIS-UHFFFAOYSA-N |
| Molecular Weight | 325.368 g/mol |
| SMILES | C(N1CCN(CC1)C(COC1=CC=CC=C1)=O)(=O)C=1C=CN=CC1 |