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4-(4'-Heptyl[1,1'-biphenyl]-4-yl)-1-hexylcyclohexanecarbonitrile
SpectraBase Compound ID I0O1S6xuBr3
InChI InChI=1S/C32H45N/c1-3-5-7-9-10-12-27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-24-32(26-33,25-22-31)23-11-8-6-4-2/h13-20,31H,3-12,21-25H2,1-2H3
InChIKey PWLUFXMVLJXNQH-UHFFFAOYSA-N
Mol Weight 443.7 g/mol
Molecular Formula C32H45N
Exact Mass 443.3552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gpmqxtz2Iru
Name CYCLOHEXANECARBONITRILE, 4-(4'-HEPTYL[1,1'-BIPHENYL]-4-YL)-1-HEXYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H45N
InChI InChI=1S/C32H45N/c1-3-5-7-9-10-12-27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-24-32(26-33,25-22-31)23-11-8-6-4-2/h13-20,31H,3-12,21-25H2,1-2H3
InChIKey PWLUFXMVLJXNQH-UHFFFAOYSA-N
Molecular Weight 443.3541
SMILES CCCCCCCc1ccc(-c2ccc(C3CCC(C#N)(CCCCCC)CC3)cc2)cc1
SPLASH splash10-052f-8924500000-787dd5b189c6a7e2e5b0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany