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N-[4-(trifluoromethoxy)phenyl]-N'-(1,2,2-trimethylpropyl)thiourea

View entire compound with spectra: 2 NMR

N-[4-(trifluoromethoxy)phenyl]-N'-(1,2,2-trimethylpropyl)thiourea
SpectraBase Compound ID DBl7uFoUcBm
InChI InChI=1S/C14H19F3N2OS/c1-9(13(2,3)4)18-12(21)19-10-5-7-11(8-6-10)20-14(15,16)17/h5-9H,1-4H3,(H2,18,19,21)
InChIKey HTPBJOMKIMAFQA-UHFFFAOYSA-N
Mol Weight 320.37 g/mol
Molecular Formula C14H19F3N2OS
Exact Mass 320.117019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LIoO2dOTJn
Name N-[4-(Trifluoromethoxy)phenyl]-N'-(1,2,2-trimethylpropyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 320.117018902 u
Formula C14H19F3N2OS
InChI InChI=1S/C14H19F3N2OS/c1-9(13(2,3)4)18-12(21)19-10-5-7-11(8-6-10)20-14(15,16)17/h5-9H,1-4H3,(H2,18,19,21)
InChIKey HTPBJOMKIMAFQA-UHFFFAOYSA-N
Molecular Weight 320.374 g/mol
SMILES N(C(NC=1C=CC(OC(F)(F)F)=CC1)=S)C(C(C)(C)C)C