| SpectraBase Compound ID | DZbwVLe3Xmq |
|---|---|
| InChI | InChI=1S/C8H11Cl3O4/c1-2-14-6(12)3-4-7(13)15-5-8(9,10)11/h2-5H2,1H3 |
| InChIKey | KTANCHZRFSHKEZ-UHFFFAOYSA-N |
| Mol Weight | 277.53 g/mol |
| Molecular Formula | C8H11Cl3O4 |
| Exact Mass | 275.972292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 22RcH4Rp5iQ |
|---|---|
| Name | Succinic acid, ethyl 2,2,2-trichloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.972291930 u |
| Formula | C8H11Cl3O4 |
| InChI | InChI=1S/C8H11Cl3O4/c1-2-14-6(12)3-4-7(13)15-5-8(9,10)11/h2-5H2,1H3 |
| InChIKey | KTANCHZRFSHKEZ-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC(Cl)(Cl)Cl)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801523 |