| SpectraBase Compound ID | 3n7HNKdrTxk |
|---|---|
| InChI | InChI=1S/C10H11ClO3/c1-13-9-5-3-2-4-8(9)10(12)14-7-6-11/h2-5H,6-7H2,1H3 |
| InChIKey | BOHKDLPBUUMOLI-UHFFFAOYSA-N |
| Mol Weight | 214.65 g/mol |
| Molecular Formula | C10H11ClO3 |
| Exact Mass | 214.039672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7qjvT0456aO |
|---|---|
| Name | 2-Methoxybenzoic acid, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.039671911 u |
| Formula | C10H11ClO3 |
| InChI | InChI=1S/C10H11ClO3/c1-13-9-5-3-2-4-8(9)10(12)14-7-6-11/h2-5H,6-7H2,1H3 |
| InChIKey | BOHKDLPBUUMOLI-UHFFFAOYSA-N |
| Molecular Weight | 214.648 g/mol |
| SMILES | C(Cl)COC(C1=C(C=CC=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923934 |