| SpectraBase Compound ID | 6BNVMQCTomr |
|---|---|
| InChI | InChI=1S/C13H12N2O3/c1-2-18-13(17)15-12(16)11-8-7-9-5-3-4-6-10(9)14-11/h3-8H,2H2,1H3,(H,15,16,17) |
| InChIKey | YFZAGYJXXLDHCI-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C13H12N2O3 |
| Exact Mass | 244.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4T1N1AtyQZI |
|---|---|
| Name | Quinoline-2-carboxamide, N-ethoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.084792251 u |
| Formula | C13H12N2O3 |
| InChI | InChI=1S/C13H12N2O3/c1-2-18-13(17)15-12(16)11-8-7-9-5-3-4-6-10(9)14-11/h3-8H,2H2,1H3,(H,15,16,17) |
| InChIKey | YFZAGYJXXLDHCI-UHFFFAOYSA-N |
| Molecular Weight | 244.250 g/mol |
| SMILES | C1=CC2=C(C=C1)N=C(C(NC(=O)OCC)=O)C=C2 |