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4,4'-(2-(2-(p-Tolylethynyl)phenyl)ethene-1,1-diyl)-bis(methylbenzene)
SpectraBase Compound ID HRA1vJHMH5h
InChI InChI=1S/C31H26/c1-23-8-14-26(15-9-23)16-21-27-6-4-5-7-30(27)22-31(28-17-10-24(2)11-18-28)29-19-12-25(3)13-20-29/h4-15,17-20,22H,1-3H3
InChIKey NFFHGBWIXLSYAQ-UHFFFAOYSA-N
Mol Weight 398.55 g/mol
Molecular Formula C31H26
Exact Mass 398.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aAPPB9CNya
Name 4,4'-(2-(2-(p-Tolylethynyl)phenyl)ethene-1,1-diyl)-bis(methylbenzene)
Alternate Name(s) 4,4'-(2-(2-(p-tolylethynyl)phenyl)ethene-1,1-diyl)bis(methylbenzene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26
InChI InChI=1S/C31H26/c1-23-8-14-26(15-9-23)16-21-27-6-4-5-7-30(27)22-31(28-17-10-24(2)11-18-28)29-19-12-25(3)13-20-29/h4-15,17-20,22H,1-3H3
InChIKey NFFHGBWIXLSYAQ-UHFFFAOYSA-N
Molecular Weight 398.549 g/mol
SMILES c1cc(c(cc1)C#Cc1ccc(cc1)C)C=C(c1ccc(cc1)C)c1ccc(cc1)C
SPLASH splash10-0002-0109000000-c6952201bd154ea2195a
Source of Spectrum A1-18-1072/SM7-1g
Wiley ID 1805301