| SpectraBase Compound ID | 4gDVjEHKIe4 |
|---|---|
| InChI | InChI=1S/C7H10Cl2O3/c8-6(9)7(10)12-4-5-2-1-3-11-5/h5-6H,1-4H2 |
| InChIKey | DOMYTNCQVYWXTL-UHFFFAOYSA-N |
| Mol Weight | 213.06 g/mol |
| Molecular Formula | C7H10Cl2O3 |
| Exact Mass | 212.0007 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BV9Tes3rFrJ |
|---|---|
| Name | Dichloroacetic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.000699579 u |
| Formula | C7H10Cl2O3 |
| InChI | InChI=1S/C7H10Cl2O3/c8-6(9)7(10)12-4-5-2-1-3-11-5/h5-6H,1-4H2 |
| InChIKey | DOMYTNCQVYWXTL-UHFFFAOYSA-N |
| Molecular Weight | 213.060 g/mol |
| SMILES | C1C(OCC1)COC(C(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9746 |