| SpectraBase Compound ID | KGtqdkWrjkD |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-8(2)9-3-5-10(6-4-9)14-11(13)7-12/h3-6,8H,7H2,1-2H3 |
| InChIKey | XCQHKRXZLCYWHK-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5FoIHfCCqa |
|---|---|
| Name | Chloroacetic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c1-8(2)9-3-5-10(6-4-9)14-11(13)7-12/h3-6,8H,7H2,1-2H3 |
| InChIKey | XCQHKRXZLCYWHK-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(C(=O)OC1=CC=C(C(C)C)C=C1)Cl |