| SpectraBase Compound ID | 9W8GSfMVqaj |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | OCDWSHIUUVNSSY-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 | 2gPcTl1muFD |
|---|---|
| Name | Valeric acid, 3-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/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | OCDWSHIUUVNSSY-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(=O)(OC1=CC=CC(=C1)Cl)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930478 |