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9-Thiatribenzo[c,g,j]cycloundeca-3,7,10-triene-1,5-diyne
SpectraBase Compound ID AXQJB5LxBOy
InChI InChI=1S/C22H12S/c1-2-8-18-14-16-20-10-4-6-12-22(20)23-21-11-5-3-9-19(21)15-13-17(18)7-1/h1-12H
InChIKey ROIFRXMMGOFSIF-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C22H12S
Exact Mass 308.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3k2h6ixz4i
Name 9-Thiatribenzo[c,g,j]cycloundeca-3,7,10-triene-1,5-diyne
Alternate Name(s) 10,11,16,17-tetradehydrotribenzo[b,f,j]thiacycloundecin 9-Thioxotribenzo[c,g,j]cycloundeca-3,7,10-triene-1,5-diyne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12S
InChI InChI=1S/C22H12S/c1-2-8-18-14-16-20-10-4-6-12-22(20)23-21-11-5-3-9-19(21)15-13-17(18)7-1/h1-12H
InChIKey ROIFRXMMGOFSIF-UHFFFAOYSA-N
Molecular Weight 308.398 g/mol
SMILES c12Sc3c(C#Cc4ccccc4C#Cc2cccc1)cccc3
SPLASH splash10-0h01-0961000000-cf54b5e84061efa3da3c
Source of Spectrum J-67-392-1
Wiley ID 1568967