| SpectraBase Compound ID | 6HPgj18QJWp |
|---|---|
| InChI | InChI=1S/C10H10Cl2O2/c1-14-9(13)10(11,12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | MZTJYBBEJMTBQL-UHFFFAOYSA-N |
| Mol Weight | 233.09 g/mol |
| Molecular Formula | C10H10Cl2O2 |
| Exact Mass | 232.005785 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | En3LDtKrf4G |
|---|---|
| Name | Methyl 2,2-dichloro-3-phenylpropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.005784960 u |
| Formula | C10H10Cl2O2 |
| InChI | InChI=1S/C10H10Cl2O2/c1-14-9(13)10(11,12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | MZTJYBBEJMTBQL-UHFFFAOYSA-N |
| Molecular Weight | 233.094 g/mol |
| SMILES | C(C(=O)OC)(CC1=CC=CC=C1)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908081 |