| SpectraBase Compound ID | 6qKmTCRondJ |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c1-7-4-3-5-9(6-7)13-10(12)8(2)11/h3-6,8H,1-2H3 |
| InChIKey | PAAIIYQEPLSEAS-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C10H11ClO2 |
| Exact Mass | 198.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOzUKqp3pqA |
|---|---|
| Name | 2-Chloropropionic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.044757292 u |
| Formula | C10H11ClO2 |
| InChI | InChI=1S/C10H11ClO2/c1-7-4-3-5-9(6-7)13-10(12)8(2)11/h3-6,8H,1-2H3 |
| InChIKey | PAAIIYQEPLSEAS-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | CC1=CC=CC(=C1)OC(C(Cl)C)=O |