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(2-cyanophenyl) (E)-3-phenylprop-2-enoate
SpectraBase Compound ID 8fgNw7Ue1u2
InChI InChI=1S/C16H11NO2/c17-12-14-8-4-5-9-15(14)19-16(18)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+
InChIKey GMJQXHCKJUMABM-ZHACJKMWSA-N
Mol Weight 249.27 g/mol
Molecular Formula C16H11NO2
Exact Mass 249.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gKyIRgaN4R
Name (2-cyanophenyl) (E)-3-phenylprop-2-enoate
Alternate Name(s) (E)-3-phenyl-2-propenoic acid (2-cyanophenyl) ester (E)-3-phenylacrylic acid (2-cyanophenyl) ester
CAS Registry Number 100747-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO2
InChI InChI=1S/C16H11NO2/c17-12-14-8-4-5-9-15(14)19-16(18)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+
InChIKey GMJQXHCKJUMABM-ZHACJKMWSA-N
Molecular Weight 249.269 g/mol
SMILES C(#N)c1c(OC(\C=C\c2ccccc2)=O)cccc1
SPLASH splash10-001i-2900000000-1bfeece3ead48feb4391
Source of Spectrum AH-119-1044-6
Wiley ID 1252390