| SpectraBase Compound ID | HANVjfXqOek |
|---|---|
| InChI | InChI=1S/C12H19F3N2O2/c1-4-5-6-9-7-11(19,12(13,14)15)17(16-9)10(18)8(2)3/h8,19H,4-7H2,1-3H3 |
| InChIKey | DUIDTAGVLKXNAO-UHFFFAOYSA-N |
| Mol Weight | 280.29 g/mol |
| Molecular Formula | C12H19F3N2O2 |
| Exact Mass | 280.139862 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 | lRnWYiWEM0 |
|---|---|
| Name | 3-Butyl-1-isobutyryl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.139862347 u |
| Formula | C12H19F3N2O2 |
| InChI | InChI=1S/C12H19F3N2O2/c1-4-5-6-9-7-11(19,12(13,14)15)17(16-9)10(18)8(2)3/h8,19H,4-7H2,1-3H3 |
| InChIKey | DUIDTAGVLKXNAO-UHFFFAOYSA-N |
| Molecular Weight | 280.291 g/mol |
| SMILES | OC1(N(N=C(CCCC)C1)C(=O)C(C)C)C(F)(F)F |