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

View entire compound with spectra: 1 MS (GC)

(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-isopropylpiperidine-3-yl)thiourea
SpectraBase Compound ID YXP3BqWkHM
InChI InChI=1S/C17H21F6N3S/c1-10(2)26-5-3-4-13(9-26)24-15(27)25-14-7-11(16(18,19)20)6-12(8-14)17(21,22)23/h6-8,10,13H,3-5,9H2,1-2H3,(H2,24,25,27)/t13-/m0/s1
InChIKey STHQDOMUJCXXDN-ZDUSSCGKSA-N
Mol Weight 413.43 g/mol
Molecular Formula C17H21F6N3S
Exact Mass 413.136038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86o1nEwlxKn
Name (S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-isopropylpiperidine-3-yl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21F6N3S
InChI InChI=1S/C17H21F6N3S/c1-10(2)26-5-3-4-13(9-26)24-15(27)25-14-7-11(16(18,19)20)6-12(8-14)17(21,22)23/h6-8,10,13H,3-5,9H2,1-2H3,(H2,24,25,27)/t13-/m0/s1
InChIKey STHQDOMUJCXXDN-ZDUSSCGKSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 413.426 g/mol
SMILES N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N[C@@]1(CN(CCC1)C(C)C)[H])=S
SPLASH splash10-01t9-2900000000-b777f6eabbfcac1d3c60
Source of Spectrum A1-14-4518/SMS7-4c
Synonyms (S)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-isopropylpiperidin-3-yl)thiourea
Wiley ID 1750567