| SpectraBase Compound ID | 9EQoxC63CEJ |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-2-3-4-11(13)14-10-7-5-9(12)6-8-10/h5-8H,2-4H2,1H3 |
| InChIKey | BEZFOOVQBIWCMU-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5blOkIYnCC0 |
|---|---|
| Name | Valeric acid, 4-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c1-2-3-4-11(13)14-10-7-5-9(12)6-8-10/h5-8H,2-4H2,1H3 |
| InChIKey | BEZFOOVQBIWCMU-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | CCCCC(=O)OC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832657 |