| SpectraBase Compound ID | FfNEGn65zlN |
|---|---|
| InChI | InChI=1S/C8H15ClO4/c1-4-13-7(10)5-8(6-9,11-2)12-3/h4-6H2,1-3H3 |
| InChIKey | RTLKEYYMSIJFPA-UHFFFAOYSA-N |
| Mol Weight | 210.66 g/mol |
| Molecular Formula | C8H15ClO4 |
| Exact Mass | 210.065887 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BTlfzUSDsa0 |
|---|---|
| Name | 4-Chloro-3,3-dimethoxybutylic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.065886659 u |
| Formula | C8H15ClO4 |
| InChI | InChI=1S/C8H15ClO4/c1-4-13-7(10)5-8(6-9,11-2)12-3/h4-6H2,1-3H3 |
| InChIKey | RTLKEYYMSIJFPA-UHFFFAOYSA-N |
| Molecular Weight | 210.657 g/mol |
| SMILES | C(C(OC)(OC)CCl)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934966 |