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2-Thiazoleacetonitrile, alpha-[(4-chlorophenyl)methylene]-4-phenyl-
SpectraBase Compound ID KSKaVTF4vwH
InChI InChI=1S/C18H11ClN2S/c19-16-8-6-13(7-9-16)10-15(11-20)18-21-17(12-22-18)14-4-2-1-3-5-14/h1-10,12H/b15-10+
InChIKey DGYIXQYTFLVTQV-XNTDXEJSSA-N
Mol Weight 322.81 g/mol
Molecular Formula C18H11ClN2S
Exact Mass 322.033147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mYCaB7YNQ1
Name 2-Thiazoleacetonitrile, alpha-[(4-chlorophenyl)methylene]-4-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 322.033147236 u
Formula C18H11ClN2S
InChI InChI=1S/C18H11ClN2S/c19-16-8-6-13(7-9-16)10-15(11-20)18-21-17(12-22-18)14-4-2-1-3-5-14/h1-10,12H/b15-10+
InChIKey DGYIXQYTFLVTQV-XNTDXEJSSA-N
Molecular Weight 322.813 g/mol
SMILES C=1C=CC(C=2N=C(\C(=C\C3=CC=C(C=C3)Cl)C#N)SC2)=CC1