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1,4,8-triphenyl-3-(phenylethynyl)-3-octene1,5,7-triyne
SpectraBase Compound ID ea6i3zxvUR
InChI InChI=1S/C34H20/c1-5-15-29(16-6-1)21-13-14-24-34(32-22-11-4-12-23-32)33(27-25-30-17-7-2-8-18-30)28-26-31-19-9-3-10-20-31/h1-12,15-20,22-23H
InChIKey IJHFRPNJPDOFIN-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C34H20
Exact Mass 428.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wxMaLfNQ05
Name 1,4,8-triphenyl-3-(phenylethynyl)-3-octene1,5,7-triyne
Alternate Name(s) {5-phenyl-1-[3-phenyl-1-(phenylethynyl)-2-propynylidene]-2,4-pentadiynyl}benzene
CAS Registry Number 133399-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H20
InChI InChI=1S/C34H20/c1-5-15-29(16-6-1)21-13-14-24-34(32-22-11-4-12-23-32)33(27-25-30-17-7-2-8-18-30)28-26-31-19-9-3-10-20-31/h1-12,15-20,22-23H
InChIKey IJHFRPNJPDOFIN-UHFFFAOYSA-N
Molecular Weight 428.534 g/mol
SMILES C(C(C#Cc1ccccc1)=C(C#CC#Cc1ccccc1)c1ccccc1)#Cc1ccccc1
SPLASH splash10-004i-0010900000-c545c02f36b19351ccf6
Source of Spectrum K-124-1474-6
Wiley ID 1381061