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1-(4-Cyanophenyl)-4-(4-nonyloxyphenyl)buta-1,3-diene
SpectraBase Compound ID HuPv8VTotvM
InChI InChI=1S/C26H31NO/c1-2-3-4-5-6-7-10-21-28-26-19-17-24(18-20-26)12-9-8-11-23-13-15-25(22-27)16-14-23/h8-9,11-20H,2-7,10,21H2,1H3/b11-8+,12-9+
InChIKey OHTRGMFMQHTCGK-HZOWPXDZSA-N
Mol Weight 373.54 g/mol
Molecular Formula C26H31NO
Exact Mass 373.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT0cnlty5eh
Name 1-(4-Cyanophenyl)-4-(4-nonyloxyphenyl)buta-1,3-diene
Alternate Name(s) 4-{(1E,3E)-4-[4-(nonyloxy)phenyl]-1,3-butadienyl}benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C26H31NO
InChI InChI=1S/C26H31NO/c1-2-3-4-5-6-7-10-21-28-26-19-17-24(18-20-26)12-9-8-11-23-13-15-25(22-27)16-14-23/h8-9,11-20H,2-7,10,21H2,1H3/b11-8+,12-9+
InChIKey OHTRGMFMQHTCGK-HZOWPXDZSA-N
Molecular Weight 373.540 g/mol
SMILES c1(\C=C\C=C\c2ccc(cc2)C#N)ccc(cc1)OCCCCCCCCC
SPLASH splash10-00dj-0069000000-af5903d6b96bc12f6f0d
Source of Spectrum KC-1993-779-0
Wiley ID 779158