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(E)-3-(2-Acetylbenzofuran-5-yl)acrylonitrile
SpectraBase Compound ID Lf9Q7XizWEb
InChI InChI=1S/C13H9NO2/c1-9(15)13-8-11-7-10(3-2-6-14)4-5-12(11)16-13/h2-5,7-8H,1H3/b3-2+
InChIKey LXXZPAVRBUCYCS-NSCUHMNNSA-N
Mol Weight 211.22 g/mol
Molecular Formula C13H9NO2
Exact Mass 211.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Yh0dFAALLI
Name (E)-3-(2-Acetylbenzofuran-5-yl)acrylonitrile
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO2
InChI InChI=1S/C13H9NO2/c1-9(15)13-8-11-7-10(3-2-6-14)4-5-12(11)16-13/h2-5,7-8H,1H3/b3-2+
InChIKey LXXZPAVRBUCYCS-NSCUHMNNSA-N
Instrument Name Shimadzu GCMQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.a18
Molecular Weight 211.220 g/mol
SMILES C(C)(=O)c1oc2c(c1)cc(cc2)\C=C\C#N
SPLASH splash10-06r5-6930000000-397b3437a38942c87961
Source of Spectrum ARK-2010-221-36
Thin-Layer Chromatography Rf 0.57 (hexane:AcOEt, 7:1)
Wiley ID 1866720