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(2E)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)-2-propenamide

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(2E)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)-2-propenamide
SpectraBase Compound ID 6pRfsj14VKT
InChI InChI=1S/C17H18FN3OS/c18-14-9-5-4-6-12(14)10-11-15(22)19-17-21-20-16(23-17)13-7-2-1-3-8-13/h4-6,9-11,13H,1-3,7-8H2,(H,19,21,22)/b11-10+
InChIKey DBVDJCQDYPABJX-ZHACJKMWSA-N
Mol Weight 331.41 g/mol
Molecular Formula C17H18FN3OS
Exact Mass 331.115462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8O4LLpqQzu
Name (2E)-N-(5-Cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 331.115461548 u
Formula C17H18FN3OS
InChI InChI=1S/C17H18FN3OS/c18-14-9-5-4-6-12(14)10-11-15(22)19-17-21-20-16(23-17)13-7-2-1-3-8-13/h4-6,9-11,13H,1-3,7-8H2,(H,19,21,22)/b11-10+
InChIKey DBVDJCQDYPABJX-ZHACJKMWSA-N
Molecular Weight 331.409 g/mol
SMILES N(C=1SC(=NN1)C1CCCCC1)C(\C=C\C=1C(F)=CC=CC1)=O