| SpectraBase Compound ID | DeJBfe0mfb2 |
|---|---|
| InChI | InChI=1S/C11H11ClO2/c12-7-4-8-14-11(13)9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+ |
| InChIKey | PBULRLQIJUOCDV-QPJJXVBHSA-N |
| Mol Weight | 210.66 g/mol |
| Molecular Formula | C11H11ClO2 |
| Exact Mass | 210.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JH2iNiKa28R |
|---|---|
| Name | Phenylacetic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.044757292 u |
| Formula | C11H11ClO2 |
| InChI | InChI=1S/C11H11ClO2/c12-7-4-8-14-11(13)9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+ |
| InChIKey | PBULRLQIJUOCDV-QPJJXVBHSA-N |
| Molecular Weight | 210.660 g/mol |
| SMILES | C(=O)(OC\C=C\Cl)CC1=CC=CC=C1 |