| SpectraBase Compound ID | 1azdR5JCElQ |
|---|---|
| InChI | InChI=1S/C14H10ClF2N3O/c15-14(16,17)13(21)18-10-6-8-12(9-7-10)20-19-11-4-2-1-3-5-11/h1-9H,(H,18,21)/b20-19+ |
| InChIKey | YBMCXXCGSBYOMA-FMQUCBEESA-N |
| Mol Weight | 309.7 g/mol |
| Molecular Formula | C14H10ClF2N3O |
| Exact Mass | 309.048046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDNZeNU6QDj |
|---|---|
| Name | p-Aminoazobenzene, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.048045979 u |
| Formula | C14H10ClF2N3O |
| InChI | InChI=1S/C14H10ClF2N3O/c15-14(16,17)13(21)18-10-6-8-12(9-7-10)20-19-11-4-2-1-3-5-11/h1-9H,(H,18,21)/b20-19+ |
| InChIKey | YBMCXXCGSBYOMA-FMQUCBEESA-N |
| Molecular Weight | 309.704 g/mol |
| SMILES | C1=C(C=CC(=C1)\N=N\C1=CC=CC=C1)NC(C(F)(F)Cl)=O |