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2-(1H-benzimidazol-2-yl)-3-[4-(piperidin-1-yl)phenyl]acrylonitrile
SpectraBase Compound ID ILbaN5EfHrJ
InChI InChI=1S/C21H20N4/c22-15-17(21-23-19-6-2-3-7-20(19)24-21)14-16-8-10-18(11-9-16)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,24)
InChIKey ALJUOQULICPSMT-UHFFFAOYSA-N
Mol Weight 328.42 g/mol
Molecular Formula C21H20N4
Exact Mass 328.168797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYAPaaZbp1W
Name 2-(1H-Benzimidazol-2-yl)-3-[4-(piperidin-1-yl)phenyl]acrylonitrile
Comments Computed using HOSE algorithm
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Exact Mass 328.168796660 u
Formula C21H20N4
InChI InChI=1S/C21H20N4/c22-15-17(21-23-19-6-2-3-7-20(19)24-21)14-16-8-10-18(11-9-16)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,24)
InChIKey ALJUOQULICPSMT-UHFFFAOYSA-N
Molecular Weight 328.419 g/mol
SMILES C1(=CC=C(C=C1)\C=C/(C#N)C1=NC2=C(N1)C=CC=C2)N1CCCCC1