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

View entire compound with spectra: 1 MS (GC)

(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-methylpyrrolidine-3-yl)thiourea
SpectraBase Compound ID A6h98onX52B
InChI InChI=1S/C14H15F6N3S/c1-23-3-2-10(7-23)21-12(24)22-11-5-8(13(15,16)17)4-9(6-11)14(18,19)20/h4-6,10H,2-3,7H2,1H3,(H2,21,22,24)/t10-/m0/s1
InChIKey PTVGQZKANBSKCL-JTQLQIEISA-N
Mol Weight 371.35 g/mol
Molecular Formula C14H15F6N3S
Exact Mass 371.089088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kN2F71rVEm
Name (S)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-(1-methylpyrrolidine-3-yl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15F6N3S
InChI InChI=1S/C14H15F6N3S/c1-23-3-2-10(7-23)21-12(24)22-11-5-8(13(15,16)17)4-9(6-11)14(18,19)20/h4-6,10H,2-3,7H2,1H3,(H2,21,22,24)/t10-/m0/s1
InChIKey PTVGQZKANBSKCL-JTQLQIEISA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 371.345 g/mol
SMILES N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N[C@@]1(CN(CC1)C)[H])=S
SPLASH splash10-001i-9001000000-09b2514febf02ab31038
Source of Spectrum A1-14-4518/SMS6-4a
Synonyms (S)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-methylpyrrolidin-3-yl)thiourea
Wiley ID 1750566