| SpectraBase Compound ID | C41FTX8FLUK |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-2-9-3-5-10(6-4-9)11(13)14-8-7-12/h3-6H,2,7-8H2,1H3 |
| InChIKey | PHYIRENWXMJVMR-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 | K1pAvDWPVlt |
|---|---|
| Name | 4-Ethylbenzoic acid, 2-chloroethyl 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/c1-2-9-3-5-10(6-4-9)11(13)14-8-7-12/h3-6H,2,7-8H2,1H3 |
| InChIKey | PHYIRENWXMJVMR-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(C1=CC=C(C=C1)CC)(OCCCl)=O |