| SpectraBase Compound ID | K7CWLshUiQE |
|---|---|
| InChI | InChI=1S/C17H15ClO2/c1-2-6-16(13-9-11-15(18)12-10-13)20-17(19)14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2 |
| InChIKey | HGJRGRUDWWCGHQ-UHFFFAOYSA-N |
| Mol Weight | 286.76 g/mol |
| Molecular Formula | C17H15ClO2 |
| Exact Mass | 286.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LeC6BZ4KK0z |
|---|---|
| Name | Benzoic acid 1-(4-chloro-phenyl)-but-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.076057421 u |
| Formula | C17H15ClO2 |
| InChI | InChI=1S/C17H15ClO2/c1-2-6-16(13-9-11-15(18)12-10-13)20-17(19)14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2 |
| InChIKey | HGJRGRUDWWCGHQ-UHFFFAOYSA-N |
| SMILES | C(OC(C=1C=CC(=CC1)Cl)CC=C)(=O)C1=CC=CC=C1 |