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(E,E)-1,3-Di-tert-butyl-6-[2-(2,4-di-tert-butyl-cyclopentadienyl)vinyl]pentafulvene
SpectraBase Compound ID DEhvF3lSl9E
InChI InChI=1S/C29H44/c1-26(2,3)22-16-20(24(18-22)28(7,8)9)14-13-15-21-17-23(27(4,5)6)19-25(21)29(10,11)12/h13-20H,1-12H3/b14-13+,21-15+
InChIKey FICPMSOUXQJDTN-KMMVFWCYSA-N
Mol Weight 392.7 g/mol
Molecular Formula C29H44
Exact Mass 392.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kh23jYk4BQN
Name (E,E)-1,3-Di-tert-butyl-6-[2-(2,4-di-tert-butyl-cyclopentadienyl)vinyl]pentafulvene
CAS Registry Number 125764-92-3
Comments Less than 3 mono-isotopic peaks
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Formula C29H44
InChI InChI=1S/C29H44/c1-26(2,3)22-16-20(24(18-22)28(7,8)9)14-13-15-21-17-23(27(4,5)6)19-25(21)29(10,11)12/h13-20H,1-12H3/b14-13+,21-15+
InChIKey FICPMSOUXQJDTN-KMMVFWCYSA-N
Molecular Weight 392.671 g/mol
SMILES C1(=CC(C(C)(C)C)=C\C1=C\C=C\C1C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0a4l-9006000000-e761c0e54e03d979cab2
Source of Spectrum K-123-1427-8
Synonyms (5E)-1,3-ditert-butyl-5-[(2E)-3-(2,4-ditert-butyl-2,4-cyclopentadien-1-yl)-2-propenylidene]-1,3-cyclopentadiene
Wiley ID 1366123