| SpectraBase Compound ID | Cp4nW4GxNU1 |
|---|---|
| InChI | InChI=1S/C11H6ClF6NO2/c1-5-2-3-6(12)4-7(5)19(8(20)10(13,14)15)9(21)11(16,17)18/h2-4H,1H3 |
| InChIKey | QKMNNYAERWCXHO-UHFFFAOYSA-N |
| Mol Weight | 333.62 g/mol |
| Molecular Formula | C11H6ClF6NO2 |
| Exact Mass | 332.999125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vAC5kDQOuj |
|---|---|
| Name | N-(5-Chloro-2-methylphenyl)-N-(trifluoroacetyl)-2,2,2-trifluoroacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.999125113 u |
| Formula | C11H6ClF6NO2 |
| InChI | InChI=1S/C11H6ClF6NO2/c1-5-2-3-6(12)4-7(5)19(8(20)10(13,14)15)9(21)11(16,17)18/h2-4H,1H3 |
| InChIKey | QKMNNYAERWCXHO-UHFFFAOYSA-N |
| Molecular Weight | 333.617 g/mol |
| SMILES | C1(=C(C=C(C=C1)Cl)N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C |