| SpectraBase Compound ID | DtxV7x4RdhJ |
|---|---|
| InChI | InChI=1S/C15H15Cl3F3NO4/c1-2-3-8-25-12(14(16,17)18)22-11(23)9-6-4-5-7-10(9)26-13(24)15(19,20)21/h4-7,12H,2-3,8H2,1H3,(H,22,23) |
| InChIKey | BSAJPCLSGVXCLZ-UHFFFAOYSA-N |
| Mol Weight | 436.64 g/mol |
| Molecular Formula | C15H15Cl3F3NO4 |
| Exact Mass | 435.001876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpNyOjCDZ9D |
|---|---|
| Name | Trichlamide, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.001875552 u |
| Formula | C15H15Cl3F3NO4 |
| InChI | InChI=1S/C15H15Cl3F3NO4/c1-2-3-8-25-12(14(16,17)18)22-11(23)9-6-4-5-7-10(9)26-13(24)15(19,20)21/h4-7,12H,2-3,8H2,1H3,(H,22,23) |
| InChIKey | BSAJPCLSGVXCLZ-UHFFFAOYSA-N |
| Molecular Weight | 436.642 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C(F)(F)F)C(NC(OCCCC)C(Cl)(Cl)Cl)=O |