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1-Butyl-4-[4'-(octyloxy)[1,1'-biphenyl]-4-yl]cyclohexanecarbonitrile
SpectraBase Compound ID ALg4nJP8ncD
InChI InChI=1S/C31H43NO/c1-3-5-7-8-9-10-24-33-30-17-15-28(16-18-30)26-11-13-27(14-12-26)29-19-22-31(25-32,23-20-29)21-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3
InChIKey RUYCUINBUDMMET-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C31H43NO
Exact Mass 445.334465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HS2YIXOdgc8
Name CYCLOHEXANECARBONITRILE, 1-BUTYL-4-[4'-(OCTYLOXY)[1,1'-BIPHENYL]-4-YL]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H43NO
InChI InChI=1S/C31H43NO/c1-3-5-7-8-9-10-24-33-30-17-15-28(16-18-30)26-11-13-27(14-12-26)29-19-22-31(25-32,23-20-29)21-6-4-2/h11-18,29H,3-10,19-24H2,1-2H3
InChIKey RUYCUINBUDMMET-UHFFFAOYSA-N
Molecular Weight 445.3334
SMILES C(CCCCCCC)Oc1ccc(-c2ccc(C3CCC(CCCC)(C#N)CC3)cc2)cc1
SPLASH splash10-0535-6943300000-71db70dca7b32bc60126
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany