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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 9kN2aBgT8U0
Name 4-[4'-(Nonyloxy)[1,1'-biphenyl]-4-yl]-1-octylcyclohexanecarbonitrile
CAS Registry Number 124729-19-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 515.826 g/mol
SMILES C(CCCCCCCOc1ccc(cc1)-c1ccc(cc1)C1CCC(CC1)(C#N)CCCCCCCC)C
SPLASH splash10-052g-9521020000-0e61e1a7ddfef826c9a0
Synonyms Cyclohexanecarbonitrile, 4-[4'-(nonyloxy)[1,1'-biphenyl]-4-yl]-1-octyl- 4-[4-(4-nonoxyphenyl)phenyl]-1-octyl-1-cyclohexanecarbonitrile 4-[4-(4-nonoxyphenyl)phenyl]-1-octyl-cyclohexane-1-carbonitrile 4-[4-(4-nonoxyphenyl)phenyl]-1-octyl-cyclohexanecarbonitrile
Wiley ID 1476113