| SpectraBase Compound ID | IqXoiYZFI68 |
|---|---|
| InChI | InChI=1S/C18H32Cl3NO2/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)17(23)24-16-18(19,20)21/h4H,2-3,5-16H2,1H3 |
| InChIKey | KLCQPIOPQAIINH-UHFFFAOYSA-N |
| Mol Weight | 400.8 g/mol |
| Molecular Formula | C18H32Cl3NO2 |
| Exact Mass | 399.149862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pTS2rBHY80 |
|---|---|
| Name | Carbamic acid, N-allyl-N-dodecyl-, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.149862372 u |
| Formula | C18H32Cl3NO2 |
| InChI | InChI=1S/C18H32Cl3NO2/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)17(23)24-16-18(19,20)21/h4H,2-3,5-16H2,1H3 |
| InChIKey | KLCQPIOPQAIINH-UHFFFAOYSA-N |
| Molecular Weight | 400.818 g/mol |
| SMILES | C(N(CCCCCCCCCCCC)CC=C)(=O)OCC(Cl)(Cl)Cl |