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9,10-Bis[bis(phenylethynyl)methylene]-9,10-dihydroanthracene

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9,10-Bis[bis(phenylethynyl)methylene]-9,10-dihydroanthracene
SpectraBase Compound ID 4UmoesX0Gxr
InChI InChI=1S/C48H28/c1-5-17-37(18-6-1)29-33-41(34-30-38-19-7-2-8-20-38)47-43-25-13-15-27-45(43)48(46-28-16-14-26-44(46)47)42(35-31-39-21-9-3-10-22-39)36-32-40-23-11-4-12-24-40/h1-28H
InChIKey ATVLGZZZZWEXQR-UHFFFAOYSA-N
Mol Weight 604.8 g/mol
Molecular Formula C48H28
Exact Mass 604.219101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7me7tBbYR6P
Name 9,10-bis[bis(Phenylethynyl)methylene]-9,10-dihydroanthracene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 604.219100902 u
Formula C48H28
InChI InChI=1S/C48H28/c1-5-17-37(18-6-1)29-33-41(34-30-38-19-7-2-8-20-38)47-43-25-13-15-27-45(43)48(46-28-16-14-26-44(46)47)42(35-31-39-21-9-3-10-22-39)36-32-40-23-11-4-12-24-40/h1-28H
InChIKey ATVLGZZZZWEXQR-UHFFFAOYSA-N
Molecular Weight 604.752 g/mol
SMILES C1(C2=C(C=CC=C2)C(C=2C1=CC=CC2)=C(C#CC=1C=CC=CC1)C#CC=1C=CC=CC1)=C(C#CC1=CC=CC=C1)C#CC1=CC=CC=C1