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4-[bis(3,6-ditert-butyl-1-azulenyl)methyl]phenol
SpectraBase Compound ID IlSKTiMjo0n
InChI InChI=1S/C43H52O/c1-40(2,3)28-15-21-31-33(23-17-28)37(42(7,8)9)25-35(31)39(27-13-19-30(44)20-14-27)36-26-38(43(10,11)12)34-24-18-29(41(4,5)6)16-22-32(34)36/h13-26,39,44H,1-12H3
InChIKey PPIVZLASSFSBIH-UHFFFAOYSA-N
Mol Weight 584.9 g/mol
Molecular Formula C43H52O
Exact Mass 584.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HKCkmHZNeo
Name 4-[bis(3,6-ditert-butyl-1-azulenyl)methyl]phenol
Alternate Name(s) 4-[bis(3,6-ditert-butylazulen-1-yl)methyl]phenol
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Formula C43H52O
InChI InChI=1S/C43H52O/c1-40(2,3)28-15-21-31-33(23-17-28)37(42(7,8)9)25-35(31)39(27-13-19-30(44)20-14-27)36-26-38(43(10,11)12)34-24-18-29(41(4,5)6)16-22-32(34)36/h13-26,39,44H,1-12H3
InChIKey PPIVZLASSFSBIH-UHFFFAOYSA-N
Molecular Weight 584.888 g/mol
SMILES Oc1ccc(C(c2c3c(ccc(cc3)C(C)(C)C)c(c2)C(C)(C)C)c2c3c(ccc(cc3)C(C)(C)C)c(c2)C(C)(C)C)cc1
SPLASH splash10-057i-3000090000-d8aa68a11a7dcba9994a
Source of Spectrum J-62-2429-7
Wiley ID 1408924