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(E,E,E)-1,3-Di-tert-butyl-6-[4-(2,4-di-tert-butyl-cyclopentadienyl)-1,3-butadienyl]pentafulvene
SpectraBase Compound ID 6Q6h6IpNDtG
InChI InChI=1S/C31H46/c1-28(2,3)24-18-22(26(20-24)30(7,8)9)16-14-13-15-17-23-19-25(29(4,5)6)21-27(23)31(10,11)12/h13-22H,1-12H3/b15-13+,16-14-,23-17+
InChIKey XSYAKPBDVMFNNH-LCRCVOSQSA-N
Mol Weight 418.7 g/mol
Molecular Formula C31H46
Exact Mass 418.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dxqDydSIKV
Name (E,E,E)-1,3-Di-tert-butyl-6-[4-(2,4-di-tert-butyl-cyclopentadienyl)-1,3-butadienyl]pentafulvene
CAS Registry Number 125764-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46
InChI InChI=1S/C31H46/c1-28(2,3)24-18-22(26(20-24)30(7,8)9)16-14-13-15-17-23-19-25(29(4,5)6)21-27(23)31(10,11)12/h13-22H,1-12H3/b15-13+,16-14-,23-17+
InChIKey XSYAKPBDVMFNNH-LCRCVOSQSA-N
Molecular Weight 418.709 g/mol
SMILES C1(=CC(C(C)(C)C)=C\C1=C\C=C\C=C/C1C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0aor-9003600000-57337f0788df69fa7734
Source of Spectrum K-123-1427-8
Synonyms (5E)-1,3-ditert-butyl-5-[(2E,4Z)-5-(2,4-ditert-butyl-2,4-cyclopentadien-1-yl)-2,4-pentadienylidene]-1,3-cyclopentadiene
Wiley ID 1377515