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(E)-2-{2-[(E)-Cinnamoyloxy]phenyl}-2-(benzothiazol-2-yl)acrylonitrile
SpectraBase Compound ID 4InTItin2S9
InChI InChI=1S/C25H18N2OS/c26-18-21(25-27-22-13-5-7-15-24(22)29-25)17-20-12-4-6-14-23(20)28-16-8-11-19-9-2-1-3-10-19/h1-15,17H,16H2/b11-8+,21-17+
InChIKey XSNKAJJHHWSHCV-HFUKMRRCSA-N
Mol Weight 394.49 g/mol
Molecular Formula C25H18N2OS
Exact Mass 394.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5doH9PLE2Xx
Name (E)-2-{2-[(E)-Cinnamoyloxy]phenyl}-2-(benzothiazol-2-yl)acrylonitrile
Comments Computed using HOSE algorithm
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Exact Mass 394.113984381 u
Formula C25H18N2OS
InChI InChI=1S/C25H18N2OS/c26-18-21(25-27-22-13-5-7-15-24(22)29-25)17-20-12-4-6-14-23(20)28-16-8-11-19-9-2-1-3-10-19/h1-15,17H,16H2/b11-8+,21-17+
InChIKey XSNKAJJHHWSHCV-HFUKMRRCSA-N
Molecular Weight 394.492 g/mol
SMILES C1(\C(=C\C=2C(OC\C=C\C3=CC=CC=C3)=CC=CC2)C#N)=NC2=CC=CC=C2S1