| SpectraBase Compound ID | GhGc45Ln48k |
|---|---|
| InChI | InChI=1S/C11H8ClNO2/c12-6-1-7-15-11(14)10-4-2-9(8-13)3-5-10/h1-6H,7H2/b6-1+ |
| InChIKey | XVSJUDNOFHITQB-LZCJLJQNSA-N |
| Mol Weight | 221.64 g/mol |
| Molecular Formula | C11H8ClNO2 |
| Exact Mass | 221.024356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKdNOyqVfnQ |
|---|---|
| Name | 4-Cyanobenzoic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.024356200 u |
| Formula | C11H8ClNO2 |
| InChI | InChI=1S/C11H8ClNO2/c12-6-1-7-15-11(14)10-4-2-9(8-13)3-5-10/h1-6H,7H2/b6-1+ |
| InChIKey | XVSJUDNOFHITQB-LZCJLJQNSA-N |
| Molecular Weight | 221.643 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)OC\C=C\Cl)C#N |