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N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N'-(4-methylphenyl)urea

View entire compound with spectra: 2 NMR

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N'-(4-methylphenyl)urea
SpectraBase Compound ID 87IRKPmuMHP
InChI InChI=1S/C16H13FN4OS/c1-10-5-7-13(8-6-10)18-15(22)19-16-21-20-14(23-16)11-3-2-4-12(17)9-11/h2-9H,1H3,(H2,18,19,21,22)
InChIKey HZTFZKOIMVDCLG-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C16H13FN4OS
Exact Mass 328.07941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSMMcJcyMq2
Name N-[5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-N'-(4-methylphenyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 328.079410391 u
Formula C16H13FN4OS
InChI InChI=1S/C16H13FN4OS/c1-10-5-7-13(8-6-10)18-15(22)19-16-21-20-14(23-16)11-3-2-4-12(17)9-11/h2-9H,1H3,(H2,18,19,21,22)
InChIKey HZTFZKOIMVDCLG-UHFFFAOYSA-N
Molecular Weight 328.365 g/mol
SMILES N(C(NC=1SC(=NN1)C1=CC(F)=CC=C1)=O)C1=CC=C(C=C1)C