| SpectraBase Compound ID | 7gtIFcIlfRv |
|---|---|
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-15-14-9/h1-6H |
| InChIKey | AKFVAXBMVJLRLA-UHFFFAOYSA-N |
| Mol Weight | 213.16 g/mol |
| Molecular Formula | C10H6F3NO |
| Exact Mass | 213.040148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9m8OSv8CyJ5 |
|---|---|
| Name | 3-(4-Trifluoromethyphenyl)isoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.040148305 u |
| Formula | C10H6F3NO |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-15-14-9/h1-6H |
| InChIKey | AKFVAXBMVJLRLA-UHFFFAOYSA-N |
| Molecular Weight | 213.159 g/mol |
| SMILES | C(C1=CC=C(C2=NOC=C2)C=C1)(F)(F)F |