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N-(4-fluorobenzyl)-N'-(2-phenylethyl)thiourea
SpectraBase Compound ID Irk0O73bWfQ
InChI InChI=1S/C16H17FN2S/c17-15-8-6-14(7-9-15)12-19-16(20)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,18,19,20)
InChIKey AHDIHHQPPHOYEV-UHFFFAOYSA-N
Mol Weight 288.38 g/mol
Molecular Formula C16H17FN2S
Exact Mass 288.109648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7JTKHPyou9
Name N-(4-Fluorobenzyl)-N'-(2-phenylethyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 288.109647892 u
Formula C16H17FN2S
InChI InChI=1S/C16H17FN2S/c17-15-8-6-14(7-9-15)12-19-16(20)18-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,18,19,20)
InChIKey AHDIHHQPPHOYEV-UHFFFAOYSA-N
Molecular Weight 288.384 g/mol
SMILES N(C(=S)NCC1=CC=C(C=C1)F)CCC1=CC=CC=C1