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1,2,3,4,5,6-hexakis(2-phenylethynyl)benzene

View entire compound with spectra: 1 MS (GC)

1,2,3,4,5,6-hexakis(2-phenylethynyl)benzene
SpectraBase Compound ID Et3MyguN9gp
InChI InChI=1S/C54H30/c1-7-19-43(20-8-1)31-37-49-50(38-32-44-21-9-2-10-22-44)52(40-34-46-25-13-4-14-26-46)54(42-36-48-29-17-6-18-30-48)53(41-35-47-27-15-5-16-28-47)51(49)39-33-45-23-11-3-12-24-45/h1-30H
InChIKey SDGNTWFWHWDWNC-UHFFFAOYSA-N
Mol Weight 678.8 g/mol
Molecular Formula C54H30
Exact Mass 678.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpIdR4bKkPd
Name 1,2,3,4,5,6-hexakis(2-phenylethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H30
InChI InChI=1S/C54H30/c1-7-19-43(20-8-1)31-37-49-50(38-32-44-21-9-2-10-22-44)52(40-34-46-25-13-4-14-26-46)54(42-36-48-29-17-6-18-30-48)53(41-35-47-27-15-5-16-28-47)51(49)39-33-45-23-11-3-12-24-45/h1-30H
InChIKey SDGNTWFWHWDWNC-UHFFFAOYSA-N
Molecular Weight 678.834 g/mol
SMILES c1(c(c(C#Cc2ccccc2)c(c(c1C#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1
SPLASH splash10-004i-0000019000-05e5a0d1dde7c9da8003
Source of Spectrum K1-2004-871-1
Wiley ID 1560417