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N,N-dibenzyl-N'-(1-naphthyl)thiourea
SpectraBase Compound ID DZf6IPgITKU
InChI InChI=1S/C25H22N2S/c28-25(26-24-17-9-15-22-14-7-8-16-23(22)24)27(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-17H,18-19H2,(H,26,28)
InChIKey LPXAVTQPRKMUNC-UHFFFAOYSA-N
Mol Weight 382.53 g/mol
Molecular Formula C25H22N2S
Exact Mass 382.15037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1q5dMX8DjwF
Name N,N-Dibenzyl-N'-(1-naphthyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 382.150369890 u
Formula C25H22N2S
InChI InChI=1S/C25H22N2S/c28-25(26-24-17-9-15-22-14-7-8-16-23(22)24)27(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-17H,18-19H2,(H,26,28)
InChIKey LPXAVTQPRKMUNC-UHFFFAOYSA-N
Molecular Weight 382.525 g/mol
SMILES N(C(N(CC=1C=CC=CC1)CC1=CC=CC=C1)=S)C1=C2C(C=CC=C2)=CC=C1