| SpectraBase Compound ID | EUvvLh9zakq |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c13-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | UUQOLJJACPFTKX-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 | I03tNrb2muO |
|---|---|
| Name | 5-Chloropentanoic acid, benzyl ester |
| 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/c13-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | UUQOLJJACPFTKX-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C1(=CC=CC=C1)COC(CCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980304 |