| SpectraBase Compound ID | AnC2CLlp1dI |
|---|---|
| InChI | InChI=1S/C10H4Cl2F7NO/c11-5-2-1-4(3-6(5)12)20-7(21)8(13,14)9(15,16)10(17,18)19/h1-3H,(H,20,21) |
| InChIKey | INMDAGXEYRBPRG-UHFFFAOYSA-N |
| Mol Weight | 358.04 g/mol |
| Molecular Formula | C10H4Cl2F7NO |
| Exact Mass | 356.955816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLbb6EbOijB |
|---|---|
| Name | 3,4-Dichloroaniline, N-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.955816293 u |
| Formula | C10H4Cl2F7NO |
| InChI | InChI=1S/C10H4Cl2F7NO/c11-5-2-1-4(3-6(5)12)20-7(21)8(13,14)9(15,16)10(17,18)19/h1-3H,(H,20,21) |
| InChIKey | INMDAGXEYRBPRG-UHFFFAOYSA-N |
| Molecular Weight | 358.043 g/mol |
| SMILES | C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=C(C=C1)Cl)Cl |