| SpectraBase Compound ID | C5UFAFNuOoA |
|---|---|
| InChI | InChI=1S/C7H12Cl2O3/c1-5(2)3-11-7(10)12-4-6(8)9/h5-6H,3-4H2,1-2H3 |
| InChIKey | BKXVBVMGHJLXJX-UHFFFAOYSA-N |
| Mol Weight | 215.08 g/mol |
| Molecular Formula | C7H12Cl2O3 |
| Exact Mass | 214.01635 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 63WkMOKWAb3 |
|---|---|
| Name | 2,2-Dichloroethyl isobutyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.016349643 u |
| Formula | C7H12Cl2O3 |
| InChI | InChI=1S/C7H12Cl2O3/c1-5(2)3-11-7(10)12-4-6(8)9/h5-6H,3-4H2,1-2H3 |
| InChIKey | BKXVBVMGHJLXJX-UHFFFAOYSA-N |
| Molecular Weight | 215.076 g/mol |
| SMILES | C(OC(=O)OCC(Cl)Cl)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950803 |