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Bis(3,6-di-t-butyl-1-azulenyl)(2-naphthyl)methane
SpectraBase Compound ID C1jsM2CaEug
InChI InChI=1S/C47H54/c1-44(2,3)33-19-23-35-37(25-21-33)41(46(7,8)9)28-39(35)43(32-18-17-30-15-13-14-16-31(30)27-32)40-29-42(47(10,11)12)38-26-22-34(45(4,5)6)20-24-36(38)40/h13-29,43H,1-12H3
InChIKey FSBJKUBDOVUKQF-UHFFFAOYSA-N
Mol Weight 618.9 g/mol
Molecular Formula C47H54
Exact Mass 618.422552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMJS9KKnq8P
Name Bis(3,6-di-t-butyl-1-azulenyl)(2-naphthyl)methane
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Formula C47H54
InChI InChI=1S/C47H54/c1-44(2,3)33-19-23-35-37(25-21-33)41(46(7,8)9)28-39(35)43(32-18-17-30-15-13-14-16-31(30)27-32)40-29-42(47(10,11)12)38-26-22-34(45(4,5)6)20-24-36(38)40/h13-29,43H,1-12H3
InChIKey FSBJKUBDOVUKQF-UHFFFAOYSA-N
Molecular Weight 618.949 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)c1cc2ccccc2cc1
SPLASH splash10-02t9-0010079000-938874ea8308cb7f5013
Source of Spectrum AJ-68-3618-8
Synonyms 1,6-Ditert-butyl-3-[(3,6-ditert-butyl-1-azulenyl)(2-naphthyl)methyl]azulene
Wiley ID 773451