| SpectraBase Compound ID | LbXIXQ0SRaA |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3 |
| InChIKey | YNEYMDBBOTWIAL-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 | 1SohmcTVxYN |
|---|---|
| Name | Ethyl 3-(4-chlorophenyl)propanoate |
| 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/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3 |
| InChIKey | YNEYMDBBOTWIAL-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)CCC(OCC)=O |