| SpectraBase Compound ID | Bgohax1mukI |
|---|---|
| InChI | InChI=1S/C10H3Cl3F7NO/c11-3-1-5(13)6(2-4(3)12)21-7(22)8(14,15)9(16,17)10(18,19)20/h1-2H,(H,21,22) |
| InChIKey | YGYLNZMGQILRCE-UHFFFAOYSA-N |
| Mol Weight | 392.49 g/mol |
| Molecular Formula | C10H3Cl3F7NO |
| Exact Mass | 390.916844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81nwGwNshJM |
|---|---|
| Name | 2,4,5-Trichloroaniline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.916843961 u |
| Formula | C10H3Cl3F7NO |
| InChI | InChI=1S/C10H3Cl3F7NO/c11-3-1-5(13)6(2-4(3)12)21-7(22)8(14,15)9(16,17)10(18,19)20/h1-2H,(H,21,22) |
| InChIKey | YGYLNZMGQILRCE-UHFFFAOYSA-N |
| Molecular Weight | 392.488 g/mol |
| SMILES | C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C(=C1)Cl)Cl)Cl |