![4-[3,5-bis(Trifluoromethyl)-1H-pyrazol-1-yl]phenylamine](/api/spectrum/4NNayc6CL8C/structure.png?h=300&w=458 "4-[3,5-bis(Trifluoromethyl)-1H-pyrazol-1-yl]phenylamine")
| SpectraBase Compound ID | 1VuFH7x7xp1 |
|---|---|
| InChI | InChI=1S/C11H7F6N3/c12-10(13,14)8-5-9(11(15,16)17)20(19-8)7-3-1-6(18)2-4-7/h1-5H,18H2 |
| InChIKey | XOXBUERZFCPKDR-UHFFFAOYSA-N |
| Mol Weight | 295.19 g/mol |
| Molecular Formula | C11H7F6N3 |
| Exact Mass | 295.054416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NNayc6CL8C |
|---|---|
| Name | 4-[3,5-bis(Trifluoromethyl)-1H-pyrazol-1-yl]phenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.054416215 u |
| Formula | C11H7F6N3 |
| InChI | InChI=1S/C11H7F6N3/c12-10(13,14)8-5-9(11(15,16)17)20(19-8)7-3-1-6(18)2-4-7/h1-5H,18H2 |
| InChIKey | XOXBUERZFCPKDR-UHFFFAOYSA-N |
| Molecular Weight | 295.188 g/mol |
| SMILES | C(F)(F)(F)C=1N(N=C(C1)C(F)(F)F)C1=CC=C(C=C1)N |