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5,6,7,8-Tetraphenylnaphtho[2,1-b : 3,4-b]-bis[1]benzothiophene

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5,6,7,8-Tetraphenylnaphtho[2,1-b : 3,4-b]-bis[1]benzothiophene
SpectraBase Compound ID GRb1eZa4LCW
InChI InChI=1S/C46H28S2/c1-5-17-29(18-6-1)37-38(30-19-7-2-8-20-30)40(32-23-11-4-12-24-32)44-42-34-26-14-16-28-36(34)48-46(42)45-41(33-25-13-15-27-35(33)47-45)43(44)39(37)31-21-9-3-10-22-31/h1-28H
InChIKey HJCWFDKITVKTRF-UHFFFAOYSA-N
Mol Weight 644.9 g/mol
Molecular Formula C46H28S2
Exact Mass 644.163243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I12NbMTEC4R
Name 5,6,7,8-Tetraphenylnaphtho[2,1-B : 3,4-B]-bis[1]benzothiophene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 644.163243250 u
Formula C46H28S2
InChI InChI=1S/C46H28S2/c1-5-17-29(18-6-1)37-38(30-19-7-2-8-20-30)40(32-23-11-4-12-24-32)44-42-34-26-14-16-28-36(34)48-46(42)45-41(33-25-13-15-27-35(33)47-45)43(44)39(37)31-21-9-3-10-22-31/h1-28H
InChIKey HJCWFDKITVKTRF-UHFFFAOYSA-N
SMILES C1=2C3=C(C=4C=CC=CC4S3)C=3C(C2C=2C=CC=CC2S1)=C(C(=C(C1=CC=CC=C1)C3C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1