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4-[Bis(3,6-di-t-butyl-1-azulenyl)methyl]benzenaldehyde
SpectraBase Compound ID Clclbl3DLQY
InChI InChI=1S/C44H52O/c1-41(2,3)30-17-21-32-34(23-19-30)38(43(7,8)9)25-36(32)40(29-15-13-28(27-45)14-16-29)37-26-39(44(10,11)12)35-24-20-31(42(4,5)6)18-22-33(35)37/h13-27,40H,1-12H3
InChIKey UMEPPJZLRKPCRH-UHFFFAOYSA-N
Mol Weight 596.9 g/mol
Molecular Formula C44H52O
Exact Mass 596.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lFdAtiebr6
Name 4-[Bis(3,6-di-t-butyl-1-azulenyl)methyl]benzenaldehyde
Alternate Name(s) 4-[bis(3,6-ditert-butyl-1-azulenyl)methyl]benzaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C44H52O
InChI InChI=1S/C44H52O/c1-41(2,3)30-17-21-32-34(23-19-30)38(43(7,8)9)25-36(32)40(29-15-13-28(27-45)14-16-29)37-26-39(44(10,11)12)35-24-20-31(42(4,5)6)18-22-33(35)37/h13-27,40H,1-12H3
InChIKey UMEPPJZLRKPCRH-UHFFFAOYSA-N
Molecular Weight 596.899 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(C=O)cc1
SPLASH splash10-0002-0000090000-43c29b4eb8f232dca5f6
Source of Spectrum AJ-73-1872-12
Wiley ID 775449