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1-[3,5-Bis(trifluoromethyl)phenyl-3-[(1S,2S)-2-(piperidin-1-yl)cyclohexyl]thiourea
SpectraBase Compound ID 3xkRXakrzP6
InChI InChI=1S/C20H25F6N3S/c21-19(22,23)13-10-14(20(24,25)26)12-15(11-13)27-18(30)28-16-6-2-3-7-17(16)29-8-4-1-5-9-29/h10-12,16-17H,1-9H2,(H2,27,28,30)/t16-,17-/m0/s1
InChIKey JPNIOHVSKNMMJH-IRXDYDNUSA-N
Mol Weight 453.49 g/mol
Molecular Formula C20H25F6N3S
Exact Mass 453.167338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXjGUuq9HrD
Name 1-[3,5-Bis(trifluoromethyl)phenyl-3-[(1S,2S)-2-(piperidin-1-yl)cyclohexyl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25F6N3S
InChI InChI=1S/C20H25F6N3S/c21-19(22,23)13-10-14(20(24,25)26)12-15(11-13)27-18(30)28-16-6-2-3-7-17(16)29-8-4-1-5-9-29/h10-12,16-17H,1-9H2,(H2,27,28,30)/t16-,17-/m0/s1
InChIKey JPNIOHVSKNMMJH-IRXDYDNUSA-N
Molecular Weight 453.491 g/mol
SMILES N(C(N[C@@]1([C@@](N2CCCCC2)(CCCC1)[H])[H])=S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SPLASH splash10-01bi-3900100000-dbec3b98c7b5ccbe8b30
Source of Spectrum F-66-6355-11a
Wiley ID 1683664