| SpectraBase Compound ID | 7ENcar1LxY8 |
|---|---|
| InChI | InChI=1S/C11H11ClO2/c1-9-3-5-10(6-4-9)11(13)14-8-2-7-12/h2-7H,8H2,1H3/b7-2+ |
| InChIKey | AKHNPGGATKIWFI-FARCUNLSSA-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 | 1t3g7rFA9h6 |
|---|---|
| Name | p-Toluic 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/c1-9-3-5-10(6-4-9)11(13)14-8-2-7-12/h2-7H,8H2,1H3/b7-2+ |
| InChIKey | AKHNPGGATKIWFI-FARCUNLSSA-N |
| Molecular Weight | 210.660 g/mol |
| SMILES | C(=O)(OC\C=C\Cl)C=1C=CC(C)=CC1 |