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N-[2-(difluoromethoxy)phenyl]-N'-(2-fluorobenzoyl)thiourea

View entire compound with spectra: 2 NMR

N-[2-(difluoromethoxy)phenyl]-N'-(2-fluorobenzoyl)thiourea
SpectraBase Compound ID 4DFNUV2arAJ
InChI InChI=1S/C15H11F3N2O2S/c16-10-6-2-1-5-9(10)13(21)20-15(23)19-11-7-3-4-8-12(11)22-14(17)18/h1-8,14H,(H2,19,20,21,23)
InChIKey OLHSRMZQYDEAFT-UHFFFAOYSA-N
Mol Weight 340.32 g/mol
Molecular Formula C15H11F3N2O2S
Exact Mass 340.049333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80FlyUdKlED
Name N-[2-(Difluoromethoxy)phenyl]-N'-(2-fluorobenzoyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 340.049333263 u
Formula C15H11F3N2O2S
InChI InChI=1S/C15H11F3N2O2S/c16-10-6-2-1-5-9(10)13(21)20-15(23)19-11-7-3-4-8-12(11)22-14(17)18/h1-8,14H,(H2,19,20,21,23)
InChIKey OLHSRMZQYDEAFT-UHFFFAOYSA-N
Molecular Weight 340.320 g/mol
SMILES N(C(C=1C(F)=CC=CC1)=O)C(NC1=C(OC(F)F)C=CC=C1)=S