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1,3-Bis[bis(3-methyl-1-azulenyl)methyl]benzene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,3-Bis[bis(3-methyl-1-azulenyl)methyl]benzene
SpectraBase Compound ID HDMVcV2kIYH
InChI InChI=1S/C52H42/c1-33-28-47(43-24-13-5-9-20-39(33)43)51(48-29-34(2)40-21-10-6-14-25-44(40)48)37-18-17-19-38(32-37)52(49-30-35(3)41-22-11-7-15-26-45(41)49)50-31-36(4)42-23-12-8-16-27-46(42)50/h5-32,51-52H,1-4H3
InChIKey GMJKIEYLIHJQKQ-UHFFFAOYSA-N
Mol Weight 666.9 g/mol
Molecular Formula C52H42
Exact Mass 666.328651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8e4nIZ68AUb
Name 1,3-bis[bis(3-Methyl-1-azulenyl)methyl]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 666.328651352 u
Formula C52H42
InChI InChI=1S/C52H42/c1-33-28-47(43-24-13-5-9-20-39(33)43)51(48-29-34(2)40-21-10-6-14-25-44(40)48)37-18-17-19-38(32-37)52(49-30-35(3)41-22-11-7-15-26-45(41)49)50-31-36(4)42-23-12-8-16-27-46(42)50/h5-32,51-52H,1-4H3
InChIKey GMJKIEYLIHJQKQ-UHFFFAOYSA-N
SMILES C1(=C2C(=CC=CC=C2)C(=C1)C)C(C1=C2C(=CC=CC=C2)C(=C1)C)C1=CC(C(C2=C3C(=CC=CC=C3)C(=C2)C)C2=C3C(=CC=CC=C3)C(=C2)C)=CC=C1