| SpectraBase Compound ID | 1oQgQAlrFVV |
|---|---|
| InChI | InChI=1S/C8H13Cl3O3/c1-2-3-4-5-13-7(12)14-6-8(9,10)11/h2-6H2,1H3 |
| InChIKey | DFFYJVUSHVRNPF-UHFFFAOYSA-N |
| Mol Weight | 263.55 g/mol |
| Molecular Formula | C8H13Cl3O3 |
| Exact Mass | 261.993027 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EkUQIiXjxd4 |
|---|---|
| Name | Carbonic acid, pentyl 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 | 261.993027376 u |
| Formula | C8H13Cl3O3 |
| InChI | InChI=1S/C8H13Cl3O3/c1-2-3-4-5-13-7(12)14-6-8(9,10)11/h2-6H2,1H3 |
| InChIKey | DFFYJVUSHVRNPF-UHFFFAOYSA-N |
| Molecular Weight | 263.548 g/mol |
| SMILES | CCCCCOC(OCC(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872583 |