| SpectraBase Compound ID | Bm6zZXUeY6J |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3 |
| InChIKey | WDIWPDMGFDKALY-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 | 88Casi0YXN4 |
|---|---|
| Name | 3-Chlorobenzoic acid, isopropyl 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(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3 |
| InChIKey | WDIWPDMGFDKALY-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | C1=C(C=CC=C1Cl)C(=O)OC(C)C |