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

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

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1caSUaoXKON
Name 1-(4-Cyanophenyl)-4-(4-nonyloxyphenyl)buta-1,3-diene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.240564621 u
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 C=1(\C=C\C=C\C=2C=CC(=CC2)C#N)C=CC(=CC1)OCCCCCCCCC