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1,2,3,4,5,6-Hexakis(thien-3-ylethynyl)benzene
SpectraBase Compound ID 6FwUjOWhOZH
InChI InChI=1S/C42H18S6/c1(31-13-19-43-25-31)7-37-38(8-2-32-14-20-44-26-32)40(10-4-34-16-22-46-28-34)42(12-6-36-18-24-48-30-36)41(11-5-35-17-23-47-29-35)39(37)9-3-33-15-21-45-27-33/h13-30H
InChIKey IBSYWXSJCGTAMN-UHFFFAOYSA-N
Mol Weight 715.0 g/mol
Molecular Formula C42H18S6
Exact Mass 713.973278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lb72v808bmZ
Name 1,2,3,4,5,6-Hexakis(thien-3-ylethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H18S6
InChI InChI=1S/C42H18S6/c1(31-13-19-43-25-31)7-37-38(8-2-32-14-20-44-26-32)40(10-4-34-16-22-46-28-34)42(12-6-36-18-24-48-30-36)41(11-5-35-17-23-47-29-35)39(37)9-3-33-15-21-45-27-33/h13-30H
InChIKey IBSYWXSJCGTAMN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2000183
Molecular Weight 714.966 g/mol
SMILES c1(C#Cc2c(C#Cc3cscc3)c(c(c(c2C#Cc2cscc2)C#Cc2cscc2)C#Cc2ccsc2)C#Cc2ccsc2)cscc1
SPLASH splash10-02t9-0010000900-df4168271c7be3bfb3e8
Source of Spectrum A1-13-1618/SM22-4e
Synonyms 1,2,3,4,5,6-hexakis(thiophen-3-ylethynyl)benzene
Wiley ID 1752849