| SpectraBase Compound ID | F587IaJSQC2 |
|---|---|
| InChI | InChI=1S/C8H5Cl3N2O3/c9-8(10,11)7(14)12-5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,14) |
| InChIKey | SUAOKKUTCUPNHY-UHFFFAOYSA-N |
| Mol Weight | 283.5 g/mol |
| Molecular Formula | C8H5Cl3N2O3 |
| Exact Mass | 281.936575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjY1GNtvGQp |
|---|---|
| Name | Acetamide, 2,2,2-trichloro-N-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.936575126 u |
| Formula | C8H5Cl3N2O3 |
| InChI | InChI=1S/C8H5Cl3N2O3/c9-8(10,11)7(14)12-5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,14) |
| InChIKey | SUAOKKUTCUPNHY-UHFFFAOYSA-N |
| Molecular Weight | 283.498 g/mol |
| SMILES | C(NC1=CC=C(C=C1)N(=O)=O)(C(Cl)(Cl)Cl)=O |