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N-(4-butoxybenzoyl)-N'-(2-fluorophenyl)thiourea

View entire compound with spectra: 2 NMR

N-(4-butoxybenzoyl)-N'-(2-fluorophenyl)thiourea
SpectraBase Compound ID Ag1GNijCYv9
InChI InChI=1S/C18H19FN2O2S/c1-2-3-12-23-14-10-8-13(9-11-14)17(22)21-18(24)20-16-7-5-4-6-15(16)19/h4-11H,2-3,12H2,1H3,(H2,20,21,22,24)
InChIKey DJVPSWYPRYIIFT-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C18H19FN2O2S
Exact Mass 346.115127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pI95sTzjlP
Name N-(4-Butoxybenzoyl)-N'-(2-fluorophenyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 346.115127195 u
Formula C18H19FN2O2S
InChI InChI=1S/C18H19FN2O2S/c1-2-3-12-23-14-10-8-13(9-11-14)17(22)21-18(24)20-16-7-5-4-6-15(16)19/h4-11H,2-3,12H2,1H3,(H2,20,21,22,24)
InChIKey DJVPSWYPRYIIFT-UHFFFAOYSA-N
Molecular Weight 346.420 g/mol
SMILES N(C(NC1=C(F)C=CC=C1)=S)C(C=1C=CC(=CC1)OCCCC)=O