| SpectraBase Compound ID | CE6EpaVBTQx |
|---|---|
| InChI | InChI=1S/C12H12F3NO/c1-8(2)7-16-11(17)9-4-3-5-10(6-9)12(13,14)15/h3-6H,1,7H2,2H3,(H,16,17) |
| InChIKey | HOCQFRGTZAMLID-UHFFFAOYSA-N |
| Mol Weight | 243.23 g/mol |
| Molecular Formula | C12H12F3NO |
| Exact Mass | 243.087098 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 | 57ilTcFeD4A |
|---|---|
| Name | Benzamide, 3-trifluoromethyl-N-methallyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.087098498 u |
| Formula | C12H12F3NO |
| InChI | InChI=1S/C12H12F3NO/c1-8(2)7-16-11(17)9-4-3-5-10(6-9)12(13,14)15/h3-6H,1,7H2,2H3,(H,16,17) |
| InChIKey | HOCQFRGTZAMLID-UHFFFAOYSA-N |
| Molecular Weight | 243.229 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)NCC(=C)C)C(F)(F)F |