| SpectraBase Compound ID | EZ97RbM0ymQ |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-3-15-12(14)8-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | YYQZCLTUMUYGBO-UHFFFAOYSA-N |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9EpBAKhJrA7 |
|---|---|
| Name | Ethyl 3-(4-chlorophenyl)butanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.076057421 u |
| Formula | C12H15ClO2 |
| InChI | InChI=1S/C12H15ClO2/c1-3-15-12(14)8-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | YYQZCLTUMUYGBO-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C(CC(C)C=1C=CC(=CC1)Cl)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95973 |