| SpectraBase Compound ID | Fz6DrWaBBZe |
|---|---|
| InChI | InChI=1S/C16H10F3N3O2/c17-16(18,19)15-10-14(11-6-8-13(9-7-11)22(23)24)21(20-15)12-4-2-1-3-5-12/h1-10H |
| InChIKey | IBPNXRSOXWLAIT-UHFFFAOYSA-N |
| Mol Weight | 333.27 g/mol |
| Molecular Formula | C16H10F3N3O2 |
| Exact Mass | 333.072511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpKzWU4SCls |
|---|---|
| Name | 1-Phenyl-5-(para-nitrophenyl)-3-trifluoromethyl-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.072511061 u |
| Formula | C16H10F3N3O2 |
| InChI | InChI=1S/C16H10F3N3O2/c17-16(18,19)15-10-14(11-6-8-13(9-7-11)22(23)24)21(20-15)12-4-2-1-3-5-12/h1-10H |
| InChIKey | IBPNXRSOXWLAIT-UHFFFAOYSA-N |
| Molecular Weight | 333.270 g/mol |
| SMILES | C=1(N(N=C(C1)C(F)(F)F)C1=CC=CC=C1)C1=CC=C(C=C1)N(=O)=O |