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2-(4-Biphenyl-4-yl-thiazol-2-yl)-5-phenylpentanenitrile

View entire compound with spectra: 1 NMR

2-(4-Biphenyl-4-yl-thiazol-2-yl)-5-phenylpentanenitrile
SpectraBase Compound ID RUCainAZcm
InChI InChI=1S/C26H18N2S/c27-18-24(13-7-10-20-8-3-1-4-9-20)26-28-25(19-29-26)23-16-14-22(15-17-23)21-11-5-2-6-12-21/h1-17,19H/b10-7+,24-13+
InChIKey RVCIGHSIYYNVHY-RHESKXDESA-N
Mol Weight 390.5 g/mol
Molecular Formula C26H18N2S
Exact Mass 390.11907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTgWshO290S
Name 2-(4-Biphenyl-4-yl-thiazol-2-yl)-5-phenylpentanenitrile
Comments Computed using HOSE algorithm
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Exact Mass 390.119069762 u
Formula C26H18N2S
InChI InChI=1S/C26H18N2S/c27-18-24(13-7-10-20-8-3-1-4-9-20)26-28-25(19-29-26)23-16-14-22(15-17-23)21-11-5-2-6-12-21/h1-17,19H/b10-7+,24-13+
InChIKey RVCIGHSIYYNVHY-RHESKXDESA-N
Molecular Weight 390.504 g/mol
SMILES C1(\C=C\C=C\(C=2SC=C(N2)C2=CC=C(C=C2)C2=CC=CC=C2)C#N)=CC=CC=C1