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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQANJcFaE0B
Name 1,3-Bis[bis(3-methyl-1-azulenyl)methyl]benzene
Alternate Name(s) 1-[{3-[bis(3-methyl-1-azulenyl)methyl]phenyl}(3-methyl-1-azulenyl)methyl]-3-methylazulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 666.908 g/mol
SMILES c1(c2c(ccccc2)c(c1)C)C(c1c2c(ccccc2)c(c1)C)c1cc(C(c2c3c(ccccc3)c(c2)C)c2c3c(ccccc3)c(c2)C)ccc1
SPLASH splash10-0006-0960001000-0fdb383748dd0abd1b74
Source of Spectrum AJ-73-1871-7
Wiley ID 775454