![4-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}butan-1-amine](/api/spectrum/8kDGYUgDTNT/structure.png?h=300&w=458 "4-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}butan-1-amine")
| SpectraBase Compound ID | 5MXUTV9CDFy |
|---|---|
| InChI | InChI=1S/C15H22F3N3/c16-15(17,18)13-4-3-5-14(12-13)21-10-8-20(9-11-21)7-2-1-6-19/h3-5,12H,1-2,6-11,19H2 |
| InChIKey | VOPRQONKUAZUBX-UHFFFAOYSA-N |
| Mol Weight | 301.36 g/mol |
| Molecular Formula | C15H22F3N3 |
| Exact Mass | 301.176582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kDGYUgDTNT |
|---|---|
| Name | 4-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}butan-1-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.176582209 u |
| Formula | C15H22F3N3 |
| InChI | InChI=1S/C15H22F3N3/c16-15(17,18)13-4-3-5-14(12-13)21-10-8-20(9-11-21)7-2-1-6-19/h3-5,12H,1-2,6-11,19H2 |
| InChIKey | VOPRQONKUAZUBX-UHFFFAOYSA-N |
| Molecular Weight | 301.357 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC=C1)N1CCN(CC1)CCCCN |