| SpectraBase Compound ID | GYjwtTgaiki |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | OZVISWPIEHTBOV-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DsOKJSGMrIn |
|---|---|
| Name | 3-Chloropropionic acid, 2-phenylethyl 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/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | OZVISWPIEHTBOV-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C1(=CC=CC=C1)CCOC(CCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969409 |