| SpectraBase Compound ID | KsseKFaJBMo |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | IFAWZYKLULDJQC-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C10H11ClO2 |
| Exact Mass | 198.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FpFNLy7R0Or |
|---|---|
| Name | Phenylacetic acid, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.044757292 u |
| Formula | C10H11ClO2 |
| InChI | InChI=1S/C10H11ClO2/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | IFAWZYKLULDJQC-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | C1=CC=CC=C1CC(=O)OCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958211 |