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3-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-6-[(1E,3E)-6-tert-butyl-7,7-dimethyl-octa-1,3,5-trienyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile

View entire compound with spectra: 1 MS (GC)

3-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-6-[(1E,3E)-6-tert-butyl-7,7-dimethyl-octa-1,3,5-trienyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile
SpectraBase Compound ID IfbjJxCFxXb
InChI InChI=1S/C36H48N4/c1-31(2,3)29(32(4,5)6)19-15-13-14-17-27-21-22-28(36(25-39,26-40)35(27,23-37)24-38)18-16-20-30(33(7,8)9)34(10,11)12/h13-22,27-28H,1-12H3/b15-13+,17-14+,18-16+
InChIKey KVJWZJWWZBAIEO-VEQSUHJDSA-N
Mol Weight 536.8 g/mol
Molecular Formula C36H48N4
Exact Mass 536.387898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56kjlpYbzpq
Name 3-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-6-[(1E,3E)-6-tert-butyl-7,7-dimethyl-octa-1,3,5-trienyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile
Appearance Slightly yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48N4
InChI InChI=1S/C36H48N4/c1-31(2,3)29(32(4,5)6)19-15-13-14-17-27-21-22-28(36(25-39,26-40)35(27,23-37)24-38)18-16-20-30(33(7,8)9)34(10,11)12/h13-22,27-28H,1-12H3/b15-13+,17-14+,18-16+
InChIKey KVJWZJWWZBAIEO-VEQSUHJDSA-N
Instrument Name FINNIGAN MAT 90x
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.139
Molecular Weight 536.808 g/mol
Reported Formula C36H48N4
SMILES C1(\C=C\C=C(C(C)(C)C)C(C)(C)C)C=CC(\C=C\C=C\C=C(C(C)(C)C)C(C)(C)C)C(C#N)(C#N)C1(C#N)C#N
SPLASH splash10-0a4i-9000200000-0cc409d659d06fe0e746
Source of Spectrum BJO-11-SM23-46
Wiley ID 1851513