| SpectraBase Compound ID | KGVQcJgxi6F |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-2-17-12(16)14-8-4-6-11(15)10-5-3-7-13-9-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,16) |
| InChIKey | DXVOSXXJFWVRDZ-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIgMMm1ac1Y |
|---|---|
| Name | 4-(N-Carbethoxyamino)-1-(3-pyridyl)-1-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-2-17-12(16)14-8-4-6-11(15)10-5-3-7-13-9-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,14,16) |
| InChIKey | DXVOSXXJFWVRDZ-UHFFFAOYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C(=O)(NCCCC(C=1C=NC=CC1)=O)OCC |