| SpectraBase Compound ID | 7cHpi74PMwR |
|---|---|
| InChI | InChI=1S/C9H15Cl3O3/c1-7(2)4-3-5-14-8(13)15-6-9(10,11)12/h7H,3-6H2,1-2H3 |
| InChIKey | ANUWVRFCSHBVPH-UHFFFAOYSA-N |
| Mol Weight | 277.57 g/mol |
| Molecular Formula | C9H15Cl3O3 |
| Exact Mass | 276.008677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2fYaKyTrk9 |
|---|---|
| Name | Carbonic acid, isohexyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.008677440 u |
| Formula | C9H15Cl3O3 |
| InChI | InChI=1S/C9H15Cl3O3/c1-7(2)4-3-5-14-8(13)15-6-9(10,11)12/h7H,3-6H2,1-2H3 |
| InChIKey | ANUWVRFCSHBVPH-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(OCC(Cl)(Cl)Cl)=O |