| SpectraBase Compound ID | 8OvktfcF1WR |
|---|---|
| InChI | InChI=1S/C14H18Cl3NO2/c1-2-3-9-18(10-12-7-5-4-6-8-12)13(19)20-11-14(15,16)17/h4-8H,2-3,9-11H2,1H3 |
| InChIKey | RPWQLSGYQUKSMD-UHFFFAOYSA-N |
| Mol Weight | 338.66 g/mol |
| Molecular Formula | C14H18Cl3NO2 |
| Exact Mass | 337.040312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATKHHNmQGWe |
|---|---|
| Name | Carbonic acid, monoamide, N-benzyl-N-butyl-, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.040311922 u |
| Formula | C14H18Cl3NO2 |
| InChI | InChI=1S/C14H18Cl3NO2/c1-2-3-9-18(10-12-7-5-4-6-8-12)13(19)20-11-14(15,16)17/h4-8H,2-3,9-11H2,1H3 |
| InChIKey | RPWQLSGYQUKSMD-UHFFFAOYSA-N |
| Molecular Weight | 338.662 g/mol |
| SMILES | C(N(CCCC)CC1=CC=CC=C1)(=O)OCC(Cl)(Cl)Cl |