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1-(4-Cyanophenyl)-4-(4-octyloxyphenyl)buta-1,3-diene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VCwdfgawdJ
Name 1-(4-Cyanophenyl)-4-(4-octyloxyphenyl)buta-1,3-diene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.224914557 u
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)C=1C=CC(\C=C\C=C\C2=CC=C(C=C2)OCCCCCCCC)=CC1