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(S)-1-(4-Chlorophenyl)-3-(1-methylpiperidine-3-yl)thiourea
SpectraBase Compound ID IdAbqHCa62X
InChI InChI=1S/C13H18ClN3S/c1-17-8-2-3-12(9-17)16-13(18)15-11-6-4-10(14)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H2,15,16,18)/t12-/m0/s1
InChIKey PICSYXAILUKNSN-LBPRGKRZSA-N
Mol Weight 283.82 g/mol
Molecular Formula C13H18ClN3S
Exact Mass 283.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rOkyzOeLMd
Name (S)-1-(4-Chlorophenyl)-3-(1-methylpiperidine-3-yl)thiourea
Alternate Name(s) (S)-1-(4-chlorophenyl)-3-(1-methylpiperidin-3-yl)thiourea
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Formula C13H18ClN3S
InChI InChI=1S/C13H18ClN3S/c1-17-8-2-3-12(9-17)16-13(18)15-11-6-4-10(14)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H2,15,16,18)/t12-/m0/s1
InChIKey PICSYXAILUKNSN-LBPRGKRZSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 283.821 g/mol
SMILES N(c1ccc(cc1)Cl)C(N[C@@]1(CN(CCC1)C)[H])=S
SPLASH splash10-0002-9000000000-003d8ee088d31dafc461
Source of Spectrum A1-14-4518/SMS10-4k
Wiley ID 1750573