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1-(4-Cyanophenyl)-4-(4-hexyloxyphenyl)buta-1,3-diene
SpectraBase Compound ID ArNW9qOUBVj
InChI InChI=1S/C23H25NO/c1-2-3-4-7-18-25-23-16-14-21(15-17-23)9-6-5-8-20-10-12-22(19-24)13-11-20/h5-6,8-17H,2-4,7,18H2,1H3/b8-5+,9-6+
InChIKey ULKYQXUGWPZVHV-XVYDYJIPSA-N
Mol Weight 331.46 g/mol
Molecular Formula C23H25NO
Exact Mass 331.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Ym4tf1BTc
Name 1-(4-Cyanophenyl)-4-(4-hexyloxyphenyl)buta-1,3-diene
Alternate Name(s) 4-{(1E,3E)-4-[4-(hexyloxy)phenyl]-1,3-butadienyl}benzonitrile 4-[(1E,3E)-4-(4-hexoxyphenyl)buta-1,3-dienyl]benzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C23H25NO
InChI InChI=1S/C23H25NO/c1-2-3-4-7-18-25-23-16-14-21(15-17-23)9-6-5-8-20-10-12-22(19-24)13-11-20/h5-6,8-17H,2-4,7,18H2,1H3/b8-5+,9-6+
InChIKey ULKYQXUGWPZVHV-XVYDYJIPSA-N
Molecular Weight 331.459 g/mol
SMILES c1(\C=C\C=C\c2ccc(cc2)C#N)ccc(cc1)OCCCCCC
SPLASH splash10-001j-0049000000-188450bfa3051dc7617a
Source of Spectrum KC-1993-779-0
Wiley ID 779164