(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-fluorobenzyl)oxy-3-methoxy-phenyl]acrylonitrile

SpectraBase Compound ID	80JIFBjWVfB
InChI	InChI=1S/C24H18FN3O2/c1-29-23-13-17(8-11-22(23)30-15-16-6-9-19(25)10-7-16)12-18(14-26)24-27-20-4-2-3-5-21(20)28-24/h2-13H,15H2,1H3,(H,27,28)/b18-12+
InChIKey	XVNGOOYRULSKGT-LDADJPATSA-N Google Search
Mol Weight	399.43 g/mol
Molecular Formula	C24H18FN3O2
Exact Mass	399.138305 g/mol

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SpectraBase Spectrum ID	8wFGqdTSLM9
Name	(E)-2-(1H-Benzimidazol-2-yl)-3-[4-(4-fluorobenzyl)oxy-3-methoxy-phenyl]acrylonitrile
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	399.138304993 u
Formula	C24H18FN3O2
InChI	InChI=1S/C24H18FN3O2/c1-29-23-13-17(8-11-22(23)30-15-16-6-9-19(25)10-7-16)12-18(14-26)24-27-20-4-2-3-5-21(20)28-24/h2-13H,15H2,1H3,(H,27,28)/b18-12+
InChIKey	XVNGOOYRULSKGT-LDADJPATSA-N
Molecular Weight	399.425 g/mol
SMILES	C1(=NC=2C=CC=CC2N1)\C(=C\C=1C=C(OC)C(=CC1)OCC1=CC=C(C=C1)F)C#N