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(1Z)-1,3-Di(4-tolyl)-2-(4-tolylethynyl)-1,3-butadiene
SpectraBase Compound ID 8h4imHhnIBa
InChI InChI=1S/C27H24/c1-20-5-11-24(12-6-20)15-18-27(19-25-13-7-21(2)8-14-25)23(4)26-16-9-22(3)10-17-26/h5-14,16-17,19H,4H2,1-3H3/b27-19-
InChIKey LBIRZIQKKPHTLO-DIBXZPPDSA-N
Mol Weight 348.49 g/mol
Molecular Formula C27H24
Exact Mass 348.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9N04sFz5Yzx
Name (1Z)-1,3-Di(4-tolyl)-2-(4-tolylethynyl)-1,3-butadiene
Alternate Name(s) (Z)-4,4'-(3-(4-methylbenzylidene)pent-4-en-1-yne-1,4-diyl)bis(methylbenzene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24
InChI InChI=1S/C27H24/c1-20-5-11-24(12-6-20)15-18-27(19-25-13-7-21(2)8-14-25)23(4)26-16-9-22(3)10-17-26/h5-14,16-17,19H,4H2,1-3H3/b27-19-
InChIKey LBIRZIQKKPHTLO-DIBXZPPDSA-N
Literature Reference DOI 10.1002/adsc.200800182
Molecular Weight 348.489 g/mol
SMILES C(\C(=C/c1ccc(cc1)C)C#Cc1ccc(cc1)C)(=C)c1ccc(cc1)C
SPLASH splash10-00lr-0109000000-c778dea96f53bb51d661
Source of Spectrum ASC-350-1841/SM3-Z_7d
Wiley ID 1765719