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4-[4'-(Nonyloxy)[1,1'-biphenyl]-4-yl]-1-octylcyclohexanecarbonitrile
SpectraBase Compound ID Ju1kZdeOByP
InChI InChI=1S/C36H53NO/c1-3-5-7-9-11-13-15-29-38-35-22-20-33(21-23-35)31-16-18-32(19-17-31)34-24-27-36(30-37,28-25-34)26-14-12-10-8-6-4-2/h16-23,34H,3-15,24-29H2,1-2H3
InChIKey RFXCIENAKJTMKG-UHFFFAOYSA-N
Mol Weight 515.8 g/mol
Molecular Formula C36H53NO
Exact Mass 515.412715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18K9mHXVb5b
Name CYCLOHEXANECARBONITRILE, 4-[4'-(NONYLOXY)[1,1'-BIPHENYL]-4-YL]-1-OCTYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H53NO
InChI InChI=1S/C36H53NO/c1-3-5-7-9-11-13-15-29-38-35-22-20-33(21-23-35)31-16-18-32(19-17-31)34-24-27-36(30-37,28-25-34)26-14-12-10-8-6-4-2/h16-23,34H,3-15,24-29H2,1-2H3
InChIKey RFXCIENAKJTMKG-UHFFFAOYSA-N
Molecular Weight 515.4114
SMILES C(CCCCCCCC)Oc1ccc(-c2ccc(C3CCC(CCCCCCCC)(C#N)CC3)cc2)cc1
SPLASH splash10-052g-9521020000-a57430e7bbe5657b8784
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany