| SpectraBase Compound ID | CAG76ES5LJ7 |
|---|---|
| InChI | InChI=1S/C17H14F3N3/c18-17(19,20)15-11-16(21-12-13-7-3-1-4-8-13)22-23(15)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,22) |
| InChIKey | BNCWSRHQLSHFRO-UHFFFAOYSA-N |
| Mol Weight | 317.32 g/mol |
| Molecular Formula | C17H14F3N3 |
| Exact Mass | 317.113982 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99hHmF2x0yz |
|---|---|
| Name | 3-(Benzylamino)-5-trifluoromethyl-1-phenyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.113981952 u |
| Formula | C17H14F3N3 |
| InChI | InChI=1S/C17H14F3N3/c18-17(19,20)15-11-16(21-12-13-7-3-1-4-8-13)22-23(15)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,22) |
| InChIKey | BNCWSRHQLSHFRO-UHFFFAOYSA-N |
| Molecular Weight | 317.315 g/mol |
| SMILES | C1(=NN(C(=C1)C(F)(F)F)C=1C=CC=CC1)NCC=1C=CC=CC1 |