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1,6-Ditert-butyl-3-[(3,6-ditert-butyl-1-azulenyl)(4-methoxyphenyl)methyl]azulene
SpectraBase Compound ID JslydRNdhwE
InChI InChI=1S/C44H54O/c1-41(2,3)29-16-22-32-34(24-18-29)38(43(7,8)9)26-36(32)40(28-14-20-31(45-13)21-15-28)37-27-39(44(10,11)12)35-25-19-30(42(4,5)6)17-23-33(35)37/h14-27,40H,1-13H3
InChIKey AVIHLEGKJVTTBN-UHFFFAOYSA-N
Mol Weight 598.9 g/mol
Molecular Formula C44H54O
Exact Mass 598.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43mK69eyVMj
Name 1,6-Ditert-butyl-3-[(3,6-ditert-butyl-1-azulenyl)(4-methoxyphenyl)methyl]azulene
Alternate Name(s) 4-[bis(3,6-ditert-butyl-1-azulenyl)methyl]phenyl methyl ether Bis(3,6-di-butyl-1-azulenyl)(4-methoxyphenyl))methane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H54O
InChI InChI=1S/C44H54O/c1-41(2,3)29-16-22-32-34(24-18-29)38(43(7,8)9)26-36(32)40(28-14-20-31(45-13)21-15-28)37-27-39(44(10,11)12)35-25-19-30(42(4,5)6)17-23-33(35)37/h14-27,40H,1-13H3
InChIKey AVIHLEGKJVTTBN-UHFFFAOYSA-N
Molecular Weight 598.915 g/mol
SMILES c1(c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)C(c1c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)c1ccc(cc1)OC
SPLASH splash10-0005-0000090000-ba39130d4e2289f5f317
Source of Spectrum AJ-72-844-14
Wiley ID 774954