| SpectraBase Compound ID | LFU9S8HpoEM |
|---|---|
| InChI | InChI=1S/C12H20Cl2O4/c1-3-9(2)7-17-11(15)5-4-6-12(16)18-8-10(13)14/h9-10H,3-8H2,1-2H3 |
| InChIKey | NDZGQFUAHWHQKK-UHFFFAOYSA-N |
| Mol Weight | 299.19 g/mol |
| Molecular Formula | C12H20Cl2O4 |
| Exact Mass | 298.073865 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3PDVtuXvhDP |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl 2-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.073864520 u |
| Formula | C12H20Cl2O4 |
| InChI | InChI=1S/C12H20Cl2O4/c1-3-9(2)7-17-11(15)5-4-6-12(16)18-8-10(13)14/h9-10H,3-8H2,1-2H3 |
| InChIKey | NDZGQFUAHWHQKK-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874489 |