| SpectraBase Compound ID | G6tBbU7nsEX |
|---|---|
| InChI | InChI=1S/C13H22Cl3NO2/c1-3-5-6-7-8-10-17(9-4-2)12(18)19-11-13(14,15)16/h4H,2-3,5-11H2,1H3 |
| InChIKey | XMSGEIBHVWOHMR-UHFFFAOYSA-N |
| Mol Weight | 330.68 g/mol |
| Molecular Formula | C13H22Cl3NO2 |
| Exact Mass | 329.071612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KIWHFMNDpC |
|---|---|
| Name | Carbamic acid, N-allyl-N-heptyl-, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.071612050 u |
| Formula | C13H22Cl3NO2 |
| InChI | InChI=1S/C13H22Cl3NO2/c1-3-5-6-7-8-10-17(9-4-2)12(18)19-11-13(14,15)16/h4H,2-3,5-11H2,1H3 |
| InChIKey | XMSGEIBHVWOHMR-UHFFFAOYSA-N |
| Molecular Weight | 330.683 g/mol |
| SMILES | C(N(CCCCCCC)CC=C)(=O)OCC(Cl)(Cl)Cl |