| SpectraBase Compound ID | KbasvbGACeJ |
|---|---|
| InChI | InChI=1S/C14H17F3N2O/c1-11-3-2-4-12(9-11)10-18-5-7-19(8-6-18)13(20)14(15,16)17/h2-4,9H,5-8,10H2,1H3 |
| InChIKey | IKIOQQLBSUFLJW-UHFFFAOYSA-N |
| Mol Weight | 286.3 g/mol |
| Molecular Formula | C14H17F3N2O |
| Exact Mass | 286.129298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQ6qwpsKyb3 |
|---|---|
| Name | 1-(3-Methylbenzyl)piperazine, N-tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.129297663 u |
| Formula | C14H17F3N2O |
| InChI | InChI=1S/C14H17F3N2O/c1-11-3-2-4-12(9-11)10-18-5-7-19(8-6-18)13(20)14(15,16)17/h2-4,9H,5-8,10H2,1H3 |
| InChIKey | IKIOQQLBSUFLJW-UHFFFAOYSA-N |
| Molecular Weight | 286.298 g/mol |
| SMILES | C(C1=CC(C)=CC=C1)N1CCN(CC1)C(C(F)(F)F)=O |