| SpectraBase Compound ID | HndEqWdIKPU |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-11(2,3)10(13)14-9-6-4-5-8(12)7-9/h4-7H,1-3H3 |
| InChIKey | MBTATCPDCKJVGG-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 | 1mzTZ3A1eR0 |
|---|---|
| Name | Pyvalic acid, 3-chlorophenyl 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/c1-11(2,3)10(13)14-9-6-4-5-8(12)7-9/h4-7H,1-3H3 |
| InChIKey | MBTATCPDCKJVGG-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(=O)(OC1=CC=CC(=C1)Cl)C(C)(C)C |