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(E)-5-(4-Methoxyphenyl)-3-styrylthiophene-2-carbonitrile
SpectraBase Compound ID 15n1GqX6zES
InChI InChI=1S/C20H15NOS/c1-22-18-11-9-16(10-12-18)19-13-17(20(14-21)23-19)8-7-15-5-3-2-4-6-15/h2-13H,1H3/b8-7+
InChIKey XJYKLDRDDXBUIW-BQYQJAHWSA-N
Mol Weight 317.41 g/mol
Molecular Formula C20H15NOS
Exact Mass 317.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnWLJWuSdIa
Name (E)-5-(4-Methoxyphenyl)-3-styrylthiophene-2-carbonitrile
Appearance Yellow solid
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Formula C20H15NOS
InChI InChI=1S/C20H15NOS/c1-22-18-11-9-16(10-12-18)19-13-17(20(14-21)23-19)8-7-15-5-3-2-4-6-15/h2-13H,1H3/b8-7+
InChIKey XJYKLDRDDXBUIW-BQYQJAHWSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500627
Molecular Weight 317.406 g/mol
Quality 34
Reported Formula C20H15NOS
SMILES COC1=CC=C(C=C1)C1=CC(=C(S1)C#N)\C=C\C1=CC=CC=C1
SPLASH splash10-014i-0009000000-bba6a40992d94d1c99f5
Sample Comments E/Z > 99:1
Source of Spectrum QE-21-SM29-10f (DOI: 10.1002/chem.201500627)
Wiley ID 1906498