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2-(4-Methoxyphenyl)-2-(methylthio)-1,1-propenedicarbonitrile dimer
SpectraBase Compound ID CYlJCFOHYcq
InChI InChI=1S/2C13H12N2OS/c2*1-16-12-5-3-10(4-6-12)13(9-17-2)11(7-14)8-15/h2*3-6H,9H2,1-2H3
InChIKey KWFBXZQPWFOZBD-UHFFFAOYSA-N
Mol Weight 488.62 g/mol
Molecular Formula C26H24N4O2S2
Exact Mass 488.134068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QxjEwy2Pg
Name 2-(4-Methoxyphenyl)-2-(methylthio)-1,1-propenedicarbonitrile dimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N4O2S2
InChI InChI=1S/2C13H12N2OS/c2*1-16-12-5-3-10(4-6-12)13(9-17-2)11(7-14)8-15/h2*3-6H,9H2,1-2H3
InChIKey KWFBXZQPWFOZBD-UHFFFAOYSA-N
Molecular Weight 488.624 g/mol
SMILES C(=C(c1ccc(cc1)OC)CSC)(C#N)C#N.C(=C(c1ccc(OC)cc1)CSC)(C#N)C#N
SPLASH splash10-001i-9010000000-fea96fb9d56693f77d59
Source of Spectrum SO-0-528-4
Wiley ID 1544049