| SpectraBase Compound ID | D5LQSWfpXT4 |
|---|---|
| InChI | InChI=1S/C16H12N2O2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,17H2,(H,19,20) |
| InChIKey | MODPOLBGQUBGFN-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C16H12N2O2 |
| Exact Mass | 264.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bb2SEO2TnW |
|---|---|
| Name | 2-(3-Ammoniophenyl)-4-quinolinecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.089877632 u |
| Formula | C16H12N2O2 |
| InChI | InChI=1S/C16H12N2O2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,17H2,(H,19,20) |
| InChIKey | MODPOLBGQUBGFN-UHFFFAOYSA-N |
| Molecular Weight | 264.284 g/mol |
| SMILES | C1(=CC(C2=CC([NH3+])=CC=C2)=NC2=C1C=CC=C2)C(=O)[O-] |