| SpectraBase Compound ID | 6uvWHFbIFrW |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c1-2-19-14(18)9-13(17)16-12-8-7-10-5-3-4-6-11(10)15-12/h3-8H,2,9H2,1H3,(H,15,16,17) |
| InChIKey | PHLLISMPSCTXFL-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H14N2O3 |
| Exact Mass | 258.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LMEIE9qTjQ |
|---|---|
| Name | 3-Keto-3-(2-quinolylamino)propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.100442316 u |
| Formula | C14H14N2O3 |
| InChI | InChI=1S/C14H14N2O3/c1-2-19-14(18)9-13(17)16-12-8-7-10-5-3-4-6-11(10)15-12/h3-8H,2,9H2,1H3,(H,15,16,17) |
| InChIKey | PHLLISMPSCTXFL-UHFFFAOYSA-N |
| SMILES | C1(=NC=2C(C=C1)=CC=CC2)NC(CC(=O)OCC)=O |