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N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-N'-(2-fluorophenyl)urea
SpectraBase Compound ID Fl2kiekrL4B
InChI InChI=1S/C15H10BrFN4OS/c16-10-6-2-1-5-9(10)13-20-21-15(23-13)19-14(22)18-12-8-4-3-7-11(12)17/h1-8H,(H2,18,19,21,22)
InChIKey BDXIZWRDAOPUNX-UHFFFAOYSA-N
Mol Weight 393.23 g/mol
Molecular Formula C15H10BrFN4OS
Exact Mass 391.974273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eya8REcp2dh
Name N-[5-(2-Bromophenyl)-1,3,4-thiadiazol-2-yl]-N'-(2-fluorophenyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 391.974273294 u
Formula C15H10BrFN4OS
InChI InChI=1S/C15H10BrFN4OS/c16-10-6-2-1-5-9(10)13-20-21-15(23-13)19-14(22)18-12-8-4-3-7-11(12)17/h1-8H,(H2,18,19,21,22)
InChIKey BDXIZWRDAOPUNX-UHFFFAOYSA-N
Molecular Weight 393.234 g/mol
SMILES N(C=1SC(=NN1)C=1C(Br)=CC=CC1)C(NC=1C(F)=CC=CC1)=O