| SpectraBase Compound ID | Ci1kc9VQ0mV |
|---|---|
| InChI | InChI=1S/C12H22Cl3NO2/c1-3-5-6-7-9-16(8-4-2)11(17)18-10-12(13,14)15/h3-10H2,1-2H3 |
| InChIKey | MYEKOGJRSNAGSR-UHFFFAOYSA-N |
| Mol Weight | 318.67 g/mol |
| Molecular Formula | C12H22Cl3NO2 |
| Exact Mass | 317.071612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GwnSqycE5Z |
|---|---|
| Name | Carbonic acid, monoamide, N-propyl-N-hexyl-, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.071612050 u |
| Formula | C12H22Cl3NO2 |
| InChI | InChI=1S/C12H22Cl3NO2/c1-3-5-6-7-9-16(8-4-2)11(17)18-10-12(13,14)15/h3-10H2,1-2H3 |
| InChIKey | MYEKOGJRSNAGSR-UHFFFAOYSA-N |
| Molecular Weight | 318.672 g/mol |
| SMILES | C(N(CCC)CCCCCC)(=O)OCC(Cl)(Cl)Cl |