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4-(3-Hexylnona-1,3-dien-1-yl)-1,1'-biphenyl

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

4-(3-Hexylnona-1,3-dien-1-yl)-1,1'-biphenyl
SpectraBase Compound ID 3wVzOLKmjI4
InChI InChI=1S/C27H36/c1-3-5-7-10-14-24(15-11-8-6-4-2)18-19-25-20-22-27(23-21-25)26-16-12-9-13-17-26/h9,12-14,16-23H,3-8,10-11,15H2,1-2H3/b19-18+,24-14-
InChIKey NSRRAHWQAGXFQQ-ZQZSPSANSA-N
Mol Weight 360.6 g/mol
Molecular Formula C27H36
Exact Mass 360.281701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53uIA1DETxn
Name 4-(3-Hexylnona-1,3-dien-1-yl)-1,1'-biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.281701159 u
Formula C27H36
InChI InChI=1S/C27H36/c1-3-5-7-10-14-24(15-11-8-6-4-2)18-19-25-20-22-27(23-21-25)26-16-12-9-13-17-26/h9,12-14,16-23H,3-8,10-11,15H2,1-2H3/b19-18+,24-14-
InChIKey NSRRAHWQAGXFQQ-ZQZSPSANSA-N
Molecular Weight 360.585 g/mol
SMILES C1(=CC=C(C=C1)C1=CC=CC=C1)\C=C\C(CCCCCC)=C/CCCCC