| SpectraBase Compound ID | 9UYsW5XhVfR |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | JZYXQRUIIAOBOQ-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 | HvDdvC24F57 |
|---|---|
| Name | 2-Chloropropionic acid, benzyl 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/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | JZYXQRUIIAOBOQ-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | C1(=CC=CC=C1)COC(C(C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957902 |