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N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3-methoxypropyl)thiourea

View entire compound with spectra: 2 NMR

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3-methoxypropyl)thiourea
SpectraBase Compound ID 7x3ySLw6Nlx
InChI InChI=1S/C12H14ClF3N2OS/c1-19-6-2-5-17-11(20)18-8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H2,17,18,20)
InChIKey GJDRNKNRASRNJW-UHFFFAOYSA-N
Mol Weight 326.77 g/mol
Molecular Formula C12H14ClF3N2OS
Exact Mass 326.046746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpPp8wvDYJ6
Name N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-(3-methoxypropyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 326.046746441 u
Formula C12H14ClF3N2OS
InChI InChI=1S/C12H14ClF3N2OS/c1-19-6-2-5-17-11(20)18-8-3-4-10(13)9(7-8)12(14,15)16/h3-4,7H,2,5-6H2,1H3,(H2,17,18,20)
InChIKey GJDRNKNRASRNJW-UHFFFAOYSA-N
Molecular Weight 326.765 g/mol
SMILES N(C(=S)NCCCOC)C=1C=C(C(F)(F)F)C(=CC1)Cl