| SpectraBase Compound ID | Di9dz9QWugW |
|---|---|
| InChI | InChI=1S/C12H11ClN2O/c13-7-8-14-12(16)11-6-5-9-3-1-2-4-10(9)15-11/h1-6H,7-8H2,(H,14,16) |
| InChIKey | MOKRODNPAKJEMT-UHFFFAOYSA-N |
| Mol Weight | 234.69 g/mol |
| Molecular Formula | C12H11ClN2O |
| Exact Mass | 234.055991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oyUJET5vHh |
|---|---|
| Name | Quinoline-2-carboxylic acid (2-chloroethyl)amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.055990681 u |
| Formula | C12H11ClN2O |
| InChI | InChI=1S/C12H11ClN2O/c13-7-8-14-12(16)11-6-5-9-3-1-2-4-10(9)15-11/h1-6H,7-8H2,(H,14,16) |
| InChIKey | MOKRODNPAKJEMT-UHFFFAOYSA-N |
| Molecular Weight | 234.686 g/mol |
| SMILES | C1=2C(=CC=C(N2)C(NCCCl)=O)C=CC=C1 |