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1-(4-Cyanophenyl)-4-(4-octyloxyphenyl)buta-1,3-diene
SpectraBase Compound ID G0GKRcFe9FA
InChI InChI=1S/C25H29NO/c1-2-3-4-5-6-9-20-27-25-18-16-23(17-19-25)11-8-7-10-22-12-14-24(21-26)15-13-22/h7-8,10-19H,2-6,9,20H2,1H3/b10-7+,11-8+
InChIKey MQHBKHHSMRQFQG-AMMQDNIMSA-N
Mol Weight 359.51 g/mol
Molecular Formula C25H29NO
Exact Mass 359.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEEEkZlhgbX
Name 1-(4-Cyanophenyl)-4-(4-octyloxyphenyl)buta-1,3-diene
Comments Less than 3 mono-isotopic peaks
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Formula C25H29NO
InChI InChI=1S/C25H29NO/c1-2-3-4-5-6-9-20-27-25-18-16-23(17-19-25)11-8-7-10-22-12-14-24(21-26)15-13-22/h7-8,10-19H,2-6,9,20H2,1H3/b10-7+,11-8+
InChIKey MQHBKHHSMRQFQG-AMMQDNIMSA-N
Molecular Weight 359.513 g/mol
SMILES C(#N)c1ccc(\C=C\C=C\c2ccc(cc2)OCCCCCCCC)cc1
SPLASH splash10-0a4j-0059000000-5967745f9639dd3be401
Source of Spectrum KC-1993-779-0
Synonyms 4-{(1E,3E)-4-[4-(octyloxy)phenyl]-1,3-butadienyl}benzonitrile
Wiley ID 779159