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1-tert-Butyl-3-[(3-tert-butylazulen-1-yl)-phenyl-methyl]azulene
SpectraBase Compound ID J9Qz639UoMf
InChI InChI=1S/C35H36/c1-34(2,3)31-22-29(25-18-12-8-14-20-27(25)31)33(24-16-10-7-11-17-24)30-23-32(35(4,5)6)28-21-15-9-13-19-26(28)30/h7-23,33H,1-6H3
InChIKey VDQQTVNSYFVBNB-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C35H36
Exact Mass 456.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9w1wcVTCI45
Name 1-tert-Butyl-3-[(3-tert-butylazulen-1-yl)-phenyl-methyl]azulene
Alternate Name(s) 1-tert-Butyl-3-[(3-tert-butyl-1-azulenyl)-phenylmethyl]azulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H36
InChI InChI=1S/C35H36/c1-34(2,3)31-22-29(25-18-12-8-14-20-27(25)31)33(24-16-10-7-11-17-24)30-23-32(35(4,5)6)28-21-15-9-13-19-26(28)30/h7-23,33H,1-6H3
InChIKey VDQQTVNSYFVBNB-UHFFFAOYSA-N
Molecular Weight 456.673 g/mol
SMILES c1(c2c(ccccc2)c(c1)C(C)(C)C)C(c1c2c(ccccc2)c(c1)C(C)(C)C)c1ccccc1
SPLASH splash10-0a4i-0001900000-82a790a47831f7cc480d
Source of Spectrum AJ-68-1431-10
Wiley ID 773284