| SpectraBase Compound ID | BRlyrSwt5XU |
|---|---|
| InChI | InChI=1S/C9H4F3N3O3/c10-9(11,12)8-13-7(14-18-8)5-2-1-3-6(4-5)15(16)17/h1-4H |
| InChIKey | SFWRWZSCYBJCMH-UHFFFAOYSA-N |
| Mol Weight | 259.14 g/mol |
| Molecular Formula | C9H4F3N3O3 |
| Exact Mass | 259.020475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ji7D1nBkR2M |
|---|---|
| Name | 3-(3-Nitrophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.020475487 u |
| Formula | C9H4F3N3O3 |
| InChI | InChI=1S/C9H4F3N3O3/c10-9(11,12)8-13-7(14-18-8)5-2-1-3-6(4-5)15(16)17/h1-4H |
| InChIKey | SFWRWZSCYBJCMH-UHFFFAOYSA-N |
| Molecular Weight | 259.144 g/mol |
| SMILES | C1(=NC(C2=CC=CC(N(=O)=O)=C2)=NO1)C(F)(F)F |