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(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-cyclohexylpiperidine-3-yl)thiourea

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(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-cyclohexylpiperidine-3-yl)thiourea
SpectraBase Compound ID 2VKaTFYWr6E
InChI InChI=1S/C20H25F6N3S/c21-19(22,23)13-9-14(20(24,25)26)11-16(10-13)28-18(30)27-15-5-4-8-29(12-15)17-6-2-1-3-7-17/h9-11,15,17H,1-8,12H2,(H2,27,28,30)/t15-/m0/s1
InChIKey LTTMRYSLMWVARR-HNNXBMFYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C20H25F6N3S
Exact Mass 453.167338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxmgMpmSVFq
Name (S)-1-[3,5-bis(Trifluoromethyl)phenyl]-3-(1-cyclohexylpiperidine-3-yl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.167337969 u
Formula C20H25F6N3S
InChI InChI=1S/C20H25F6N3S/c21-19(22,23)13-9-14(20(24,25)26)11-16(10-13)28-18(30)27-15-5-4-8-29(12-15)17-6-2-1-3-7-17/h9-11,15,17H,1-8,12H2,(H2,27,28,30)/t15-/m0/s1
InChIKey LTTMRYSLMWVARR-HNNXBMFYSA-N
Molecular Weight 453.491 g/mol
SMILES C=1C(C(F)(F)F)=CC(C(F)(F)F)=CC1NC(N[C@@]1(CN(CCC1)C1CCCCC1)[H])=S