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N-benzyl-N-(2-phenylethyl)-N'-(tetrahydro-2-furanylmethyl)thiourea
SpectraBase Compound ID 54a9ZMxOlh9
InChI InChI=1S/C21H26N2OS/c25-21(22-16-20-12-7-15-24-20)23(17-19-10-5-2-6-11-19)14-13-18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2,(H,22,25)
InChIKey VCNBHSJQQYNZBS-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C21H26N2OS
Exact Mass 354.176585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5f15m5X0zzw
Name N-Benzyl-N-(2-phenylethyl)-N'-(tetrahydro-2-furanylmethyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 354.176584638 u
Formula C21H26N2OS
InChI InChI=1S/C21H26N2OS/c25-21(22-16-20-12-7-15-24-20)23(17-19-10-5-2-6-11-19)14-13-18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2,(H,22,25)
InChIKey VCNBHSJQQYNZBS-UHFFFAOYSA-N
Molecular Weight 354.512 g/mol
SMILES N(C(=S)N(CCC1=CC=CC=C1)CC1=CC=CC=C1)CC1CCCO1