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1-(4-Cyanophenyl)-4-(4-decyloxyphenyl)buta-1,3-diene
SpectraBase Compound ID 5FmTRQaOP5k
InChI InChI=1S/C27H33NO/c1-2-3-4-5-6-7-8-11-22-29-27-20-18-25(19-21-27)13-10-9-12-24-14-16-26(23-28)17-15-24/h9-10,12-21H,2-8,11,22H2,1H3/b12-9+,13-10+
InChIKey APDFTKADMGUYKA-JOWSBRCASA-N
Mol Weight 387.6 g/mol
Molecular Formula C27H33NO
Exact Mass 387.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWAUQhar6kz
Name 1-(4-Cyanophenyl)-4-(4-decyloxyphenyl)buta-1,3-diene
Alternate Name(s) 4-{(1E,3E)-4-[4-(decyloxy)phenyl]-1,3-butadienyl}benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C27H33NO
InChI InChI=1S/C27H33NO/c1-2-3-4-5-6-7-8-11-22-29-27-20-18-25(19-21-27)13-10-9-12-24-14-16-26(23-28)17-15-24/h9-10,12-21H,2-8,11,22H2,1H3/b12-9+,13-10+
InChIKey APDFTKADMGUYKA-JOWSBRCASA-N
Molecular Weight 387.567 g/mol
SMILES c1(\C=C\C=C\c2ccc(cc2)C#N)ccc(cc1)OCCCCCCCCCC
SPLASH splash10-000i-0039000000-f7f5e3dbb8573c4e417a
Source of Spectrum KC-1993-779-0
Wiley ID 779157