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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KllDhewC2p
Name (E)-2-{2-[(E)-Cinnamoyloxy]phenyl}-2-(benzothiazol-2-yl)acrylonitrile
Alternate Name(s) (E)-2-Benzothiazol-2-yl-3-[2-((E)-3-phenyl-allyloxy)-phenyl]-acrylonitrile (E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(E)-3-phenylprop-2-enoxy]phenyl]-2-propenenitrile (E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(E)-cinnamyl]oxyphenyl]prop-2-enenitrile (E)-2-(1,3-benzothiazol-2-yl)-3-[2-[(E)-3-phenylprop-2-enoxy]phenyl]prop-2-enenitrile
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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\c2c(OC\C=C\c3ccccc3)cccc2)C#N)nc2ccccc2s1
SPLASH splash10-0006-0049000000-e389a1e30dcb450e187c
Source of Spectrum KC-0-1768-18
Wiley ID 784253