| SpectraBase Compound ID | 5kjBYrgb9El |
|---|---|
| InChI | InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16) |
| InChIKey | JBNCFFDGYDZEEN-UHFFFAOYSA-N |
| Mol Weight | 228.17 g/mol |
| Molecular Formula | C10H7F3N2O |
| Exact Mass | 228.051047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GTs0WnkbF68 |
|---|---|
| Name | 2-Cyano-alpha,alpha,alpha-trifluoro-m-acetotoluidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.051047341 u |
| Formula | C10H7F3N2O |
| InChI | InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16) |
| InChIKey | JBNCFFDGYDZEEN-UHFFFAOYSA-N |
| Molecular Weight | 228.174 g/mol |
| SMILES | N(C1=CC=C(C=C1)C(F)(F)F)C(CC#N)=O |