| SpectraBase Compound ID | 3R186MxFO9r |
|---|---|
| InChI | InChI=1S/C13H14ClN3O/c1-9(18)15-6-7-17-12-4-5-16-13-8-10(14)2-3-11(12)13/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | GKFWUSFAKYSMPW-UHFFFAOYSA-N |
| Mol Weight | 263.73 g/mol |
| Molecular Formula | C13H14ClN3O |
| Exact Mass | 263.08254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcKWZ3pd0qR |
|---|---|
| Name | N1-(7-Chloro-4-quinolinyl)-1,2-ethanediamine, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.082539782 u |
| Formula | C13H14ClN3O |
| InChI | InChI=1S/C13H14ClN3O/c1-9(18)15-6-7-17-12-4-5-16-13-8-10(14)2-3-11(12)13/h2-5,8H,6-7H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | GKFWUSFAKYSMPW-UHFFFAOYSA-N |
| Molecular Weight | 263.728 g/mol |
| SMILES | C(=O)(C)NCCNC1=CC=NC2=C1C=CC(Cl)=C2 |