| SpectraBase Compound ID | 7upu7yV2GCG |
|---|---|
| InChI | InChI=1S/C8H13Cl3O3/c1-7(2,3)4-13-6(12)14-5-8(9,10)11/h4-5H2,1-3H3 |
| InChIKey | DGZGZIOPBXWWDS-UHFFFAOYSA-N |
| Mol Weight | 263.55 g/mol |
| Molecular Formula | C8H13Cl3O3 |
| Exact Mass | 261.993027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CehwBpRwCF3 |
|---|---|
| Name | Carbonic acid, 2,2,2-trichloroethyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.993027376 u |
| Formula | C8H13Cl3O3 |
| InChI | InChI=1S/C8H13Cl3O3/c1-7(2,3)4-13-6(12)14-5-8(9,10)11/h4-5H2,1-3H3 |
| InChIKey | DGZGZIOPBXWWDS-UHFFFAOYSA-N |
| Molecular Weight | 263.548 g/mol |
| SMILES | CC(C)(C)COC(OCC(Cl)(Cl)Cl)=O |