| SpectraBase Compound ID | 9r5mDuq7ouo |
|---|---|
| InChI | InChI=1S/C15H17F5N2O/c1-10-3-4-12(9-11(10)2)21-5-7-22(8-6-21)13(23)14(16,17)15(18,19)20/h3-4,9H,5-8H2,1-2H3 |
| InChIKey | DCRBFUIIBVIERF-UHFFFAOYSA-N |
| Mol Weight | 336.31 g/mol |
| Molecular Formula | C15H17F5N2O |
| Exact Mass | 336.126104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Zg223g0AQA |
|---|---|
| Name | 1-(3,4-Dimethylphenyl)piperazine pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.126103989 u |
| Formula | C15H17F5N2O |
| InChI | InChI=1S/C15H17F5N2O/c1-10-3-4-12(9-11(10)2)21-5-7-22(8-6-21)13(23)14(16,17)15(18,19)20/h3-4,9H,5-8H2,1-2H3 |
| InChIKey | DCRBFUIIBVIERF-UHFFFAOYSA-N |
| Molecular Weight | 336.306 g/mol |
| SMILES | C(C(F)(F)F)(C(N1CCN(C2=CC(=C(C=C2)C)C)CC1)=O)(F)F |