| SpectraBase Compound ID | E3aotH18BSc |
|---|---|
| InChI | InChI=1S/C12H7ClF3N3O2/c13-9-8(18-11(21)12(14,15)16)6-17-19(10(9)20)7-4-2-1-3-5-7/h1-6H,(H,18,21) |
| InChIKey | SBOAFIRTASEKEL-UHFFFAOYSA-N |
| Mol Weight | 317.66 g/mol |
| Molecular Formula | C12H7ClF3N3O2 |
| Exact Mass | 317.017889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GuaOqj00A73 |
|---|---|
| Name | Chloridazone tfa P1009 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.017888664 u |
| Formula | C12H7ClF3N3O2 |
| InChI | InChI=1S/C12H7ClF3N3O2/c13-9-8(18-11(21)12(14,15)16)6-17-19(10(9)20)7-4-2-1-3-5-7/h1-6H,(H,18,21) |
| InChIKey | SBOAFIRTASEKEL-UHFFFAOYSA-N |
| Molecular Weight | 317.655 g/mol |
| SMILES | C=1C=CC=C(N2C(C(=C(C=N2)NC(C(F)(F)F)=O)Cl)=O)C1 |