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4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-pentylcyclohexyl)benzoate
SpectraBase Compound ID Dje5rC3S9NZ
InChI InChI=1S/C31H33NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h8-9,12-21,23,25H,2-7,10-11H2,1H3
InChIKey QUJHPAZUHOTRRX-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C31H33NO2
Exact Mass 451.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pZaurcFlUD
Name BENZOIC ACID, 4-(4-PENTYLCYCLOHEXYL)-, 4'-CYANO[1,1'-BIPHENYL]-4-YL ESTER
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Formula C31H33NO2
InChI InChI=1S/C31H33NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h8-9,12-21,23,25H,2-7,10-11H2,1H3
InChIKey QUJHPAZUHOTRRX-UHFFFAOYSA-N
Molecular Weight 451.2503
SMILES CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)CC1
SPLASH splash10-0a4i-2390000000-d2a7468247c57bb547eb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany