| SpectraBase Compound ID | BDUU2NCUkxT |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | MSPXQJIALKYXQO-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 | Fzv3Mgj0Xre |
|---|---|
| Name | 3-Phenylpropionic acid, 2-chloroethyl 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/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2 |
| InChIKey | MSPXQJIALKYXQO-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | C(CC1=CC=CC=C1)C(=O)OCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966659 |