| SpectraBase Compound ID | 75BMgmn4QE4 |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-3-8(2)14-11(13)9-6-4-5-7-10(9)12/h4-8H,3H2,1-2H3 |
| InChIKey | PSVMSRFFQPHGTG-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 | 3iCD87OvRBl |
|---|---|
| Name | 2-Chlorobenzoic acid, 2-butyl 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/c1-3-8(2)14-11(13)9-6-4-5-7-10(9)12/h4-8H,3H2,1-2H3 |
| InChIKey | PSVMSRFFQPHGTG-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(OC(C=1C(=CC=CC1)Cl)=O)(C)CC |