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2-(p-Tolylethynyl)-1-[4-(p-tolylethynyl)benzenesulfonyl]benzene
SpectraBase Compound ID GmjxrcjrKLz
InChI InChI=1S/C30H22O2S/c1-23-7-11-25(12-8-23)15-16-27-18-21-29(22-19-27)33(31,32)30-6-4-3-5-28(30)20-17-26-13-9-24(2)10-14-26/h3-14,18-19,21-22H,1-2H3
InChIKey BHDZBDLFHSFJNP-UHFFFAOYSA-N
Mol Weight 446.56 g/mol
Molecular Formula C30H22O2S
Exact Mass 446.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeviVksS2PS
Name 2-(p-Tolylethynyl)-1-[4-(p-tolylethynyl)benzenesulfonyl]benzene
Alternate Name(s) 1-(p-tolylethynyl)-2-((4-(p-tolylethynyl)phenyl)sulfonyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O2S
InChI InChI=1S/C30H22O2S/c1-23-7-11-25(12-8-23)15-16-27-18-21-29(22-19-27)33(31,32)30-6-4-3-5-28(30)20-17-26-13-9-24(2)10-14-26/h3-14,18-19,21-22H,1-2H3
InChIKey BHDZBDLFHSFJNP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201100257
Molecular Weight 446.564 g/mol
SMILES c1(c(cccc1)C#Cc1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C#Cc1ccc(cc1)C
SPLASH splash10-004i-0309100000-b6bb0f273a270d80815f
Source of Spectrum CCC-4-356/SM9-8b
Wiley ID 1788885