| SpectraBase Compound ID | 3rVMOQq2Pis |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c1-7-3-8(2)5-9(4-7)13-10(12)6-11/h3-5H,6H2,1-2H3 |
| InChIKey | WQVBITVXKZGBJJ-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 | Gz37fpIoLvP |
|---|---|
| Name | Chloroacetic acid, 3,5-dimethylphenyl 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/c1-7-3-8(2)5-9(4-7)13-10(12)6-11/h3-5H,6H2,1-2H3 |
| InChIKey | WQVBITVXKZGBJJ-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)OC(CCl)=O |