| SpectraBase Compound ID | ANmwIWTeFnN |
|---|---|
| InChI | InChI=1S/C12H13ClO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3 |
| InChIKey | ATGFDZGHHGODGL-UHFFFAOYSA-N |
| Mol Weight | 224.69 g/mol |
| Molecular Formula | C12H13ClO2 |
| Exact Mass | 224.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1paSYFBwDdr |
|---|---|
| Name | 2-Chlorobenzoic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.060407357 u |
| Formula | C12H13ClO2 |
| InChI | InChI=1S/C12H13ClO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3 |
| InChIKey | ATGFDZGHHGODGL-UHFFFAOYSA-N |
| Molecular Weight | 224.687 g/mol |
| SMILES | C1=CC=CC(=C1Cl)C(OCC=C(C)C)=O |