![1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-(piperidin-1-yl)propyl]thiourea](/api/spectrum/Bc5Klqmsb0j/structure.png?h=300&w=458 "1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-(piperidin-1-yl)propyl]thiourea")
| SpectraBase Compound ID | GkIn9Qpp7oy |
|---|---|
| InChI | InChI=1S/C23H25F6N3S/c1-15(32-10-6-3-7-11-32)20(16-8-4-2-5-9-16)31-21(33)30-19-13-17(22(24,25)26)12-18(14-19)23(27,28)29/h2,4-5,8-9,12-15,20H,3,6-7,10-11H2,1H3,(H2,30,31,33)/t15-,20+/m0/s1 |
| InChIKey | SYYGVHIAQPWUBX-MGPUTAFESA-N |
| Mol Weight | 489.52 g/mol |
| Molecular Formula | C23H25F6N3S |
| Exact Mass | 489.167338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bc5Klqmsb0j |
|---|---|
| Name | 1-[3,5-bis(Trifluoromethyl)phenyl]-3-[(1S,2S)-1-phenyl-2-(piperidin-1-yl)propyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.167337969 u |
| Formula | C23H25F6N3S |
| InChI | InChI=1S/C23H25F6N3S/c1-15(32-10-6-3-7-11-32)20(16-8-4-2-5-9-16)31-21(33)30-19-13-17(22(24,25)26)12-18(14-19)23(27,28)29/h2,4-5,8-9,12-15,20H,3,6-7,10-11H2,1H3,(H2,30,31,33)/t15-,20+/m0/s1 |
| InChIKey | SYYGVHIAQPWUBX-MGPUTAFESA-N |
| Molecular Weight | 489.524 g/mol |
| SMILES | C(C1=CC(C(F)(F)F)=CC(=C1)NC(N[C@]([C@@](N1CCCCC1)(C)[H])(C=1C=CC=CC1)[H])=S)(F)(F)F |