| SpectraBase Compound ID | A1j0OoNXTOP |
|---|---|
| InChI | InChI=1S/C9H8Cl3N3O2/c10-4-1-5(11)9(6(12)2-4)14-8(16)3-7(13)15-17/h1-2,17H,3H2,(H2,13,15)(H,14,16) |
| InChIKey | UPAUUNXAKZCACE-UHFFFAOYSA-N |
| Mol Weight | 296.54 g/mol |
| Molecular Formula | C9H8Cl3N3O2 |
| Exact Mass | 294.96821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IRBrkCuk0u |
|---|---|
| Name | Propanamide, 3-amino-3-(hydroxyimino)-N-(2,4,6-trichlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.968209608 u |
| Formula | C9H8Cl3N3O2 |
| InChI | InChI=1S/C9H8Cl3N3O2/c10-4-1-5(11)9(6(12)2-4)14-8(16)3-7(13)15-17/h1-2,17H,3H2,(H2,13,15)(H,14,16) |
| InChIKey | UPAUUNXAKZCACE-UHFFFAOYSA-N |
| Molecular Weight | 296.541 g/mol |
| SMILES | C(\C(N)=N\O)C(=O)NC1=C(Cl)C=C(C=C1Cl)Cl |