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(E/Z)-2-tert-6-[(E,E,E)-6-(3/4-tert-butylcyclopentadienyl)-1,3,5-hexatrienyl]pentafulvene
SpectraBase Compound ID 4ATHPbncEGZ
InChI InChI=1S/C25H32/c1-24(2,3)22-16-14-20(18-22)12-10-8-7-9-11-13-21-15-17-23(19-21)25(4,5)6/h7-18H,19H2,1-6H3/b9-7+,10-8+,13-11+,20-12-
InChIKey JENVHWCNBSCSRK-JBCDJZIUSA-N
Mol Weight 332.5 g/mol
Molecular Formula C25H32
Exact Mass 332.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByaMvMLedQq
Name (E/Z)-2-tert-6-[(E,E,E)-6-(3/4-tert-butylcyclopentadienyl)-1,3,5-hexatrienyl]pentafulvene
CAS Registry Number 125827-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32
InChI InChI=1S/C25H32/c1-24(2,3)22-16-14-20(18-22)12-10-8-7-9-11-13-21-15-17-23(19-21)25(4,5)6/h7-18H,19H2,1-6H3/b9-7+,10-8+,13-11+,20-12-
InChIKey JENVHWCNBSCSRK-JBCDJZIUSA-N
Molecular Weight 332.531 g/mol
SMILES C1(=C\C(=C/C=C/C=C/C=C/C2=CC=C(C2)C(C)(C)C)C=C1)C(C)(C)C
SPLASH splash10-0a4i-9014000000-dba4206e012bd87e26ff
Source of Spectrum K-123-1427-7
Synonyms 1-tert-Butyl-4-[(1E,3E,5E,7Z)-7-(3-tert-butyl-2,4-cyclopentadien-1-ylidene)-1,3,5-heptatrienyl]-1,3-cyclopentadiene
Wiley ID 1329995