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1-Octyl-4-[4'-(octyloxy)[1,1'-biphenyl]-4-yl]cyclohexanecarbonitrile
SpectraBase Compound ID 6AhX6EUOdcF
InChI InChI=1S/C35H51NO/c1-3-5-7-9-11-13-25-35(29-36)26-23-33(24-27-35)31-17-15-30(16-18-31)32-19-21-34(22-20-32)37-28-14-12-10-8-6-4-2/h15-22,33H,3-14,23-28H2,1-2H3
InChIKey JGUGYIPBBNDCML-UHFFFAOYSA-N
Mol Weight 501.8 g/mol
Molecular Formula C35H51NO
Exact Mass 501.397065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH6PRT3a2k5
Name CYCLOHEXANECARBONITRILE, 1-OCTYL-4-[4'-(OCTYLOXY)[1,1'-BIPHENYL]-4-YL]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H51NO
InChI InChI=1S/C35H51NO/c1-3-5-7-9-11-13-25-35(29-36)26-23-33(24-27-35)31-17-15-30(16-18-31)32-19-21-34(22-20-32)37-28-14-12-10-8-6-4-2/h15-22,33H,3-14,23-28H2,1-2H3
InChIKey JGUGYIPBBNDCML-UHFFFAOYSA-N
Molecular Weight 501.3958
SMILES C(CCCCCCC)Oc1ccc(-c2ccc(C3CCC(CCCCCCCC)(C#N)CC3)cc2)cc1
SPLASH splash10-0k96-8932030000-fc95cfcb4ece0b00244b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany