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(2E)-2-(1,3-Benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)-2-propenenitrile

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(2E)-2-(1,3-Benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)-2-propenenitrile
SpectraBase Compound ID IXZDpBlCuUU
InChI InChI=1S/C16H8ClFN2S/c17-12-4-3-5-13(18)11(12)8-10(9-19)16-20-14-6-1-2-7-15(14)21-16/h1-8H/b10-8+
InChIKey GKUGGDAFLQBURJ-CSKARUKUSA-N
Mol Weight 314.77 g/mol
Molecular Formula C16H8ClFN2S
Exact Mass 314.008075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdW329LI0GI
Name (2E)-2-(1,3-Benzothiazol-2-yl)-3-(2-chloro-6-fluorophenyl)-2-propenenitrile
Comments Computed using HOSE algorithm
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Exact Mass 314.008075303 u
Formula C16H8ClFN2S
InChI InChI=1S/C16H8ClFN2S/c17-12-4-3-5-13(18)11(12)8-10(9-19)16-20-14-6-1-2-7-15(14)21-16/h1-8H/b10-8+
InChIKey GKUGGDAFLQBURJ-CSKARUKUSA-N
Molecular Weight 314.765 g/mol
SMILES C1(\C(=C\C2=C(F)C=CC=C2Cl)C#N)=NC2=CC=CC=C2S1