![1-[4-(Trifluoromethoxy)benzyl]piperazine](/api/spectrum/IXHfmkj2uyv/structure.png?h=300&w=458 "1-[4-(Trifluoromethoxy)benzyl]piperazine")
| SpectraBase Compound ID | 3KISzSdkfDF |
|---|---|
| InChI | InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2 |
| InChIKey | YYHAJSIKVDIQNW-UHFFFAOYSA-N |
| Mol Weight | 260.26 g/mol |
| Molecular Formula | C12H15F3N2O |
| Exact Mass | 260.113648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXHfmkj2uyv |
|---|---|
| Name | 1-[4-(Trifluoromethoxy)benzyl]piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.113647599 u |
| Formula | C12H15F3N2O |
| InChI | InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2 |
| InChIKey | YYHAJSIKVDIQNW-UHFFFAOYSA-N |
| Molecular Weight | 260.260 g/mol |
| SMILES | C(F)(F)(F)OC1=CC=C(C=C1)CN1CCNCC1 |