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4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-propylcyclohexyl)benzoate

View entire compound with spectra: 3 MS (GC)

4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-propylcyclohexyl)benzoate
SpectraBase Compound ID ItdOOmeZkJg
InChI InChI=1S/C29H29NO2/c1-2-3-21-4-8-23(9-5-21)25-12-14-27(15-13-25)29(31)32-28-18-16-26(17-19-28)24-10-6-22(20-30)7-11-24/h6-7,10-19,21,23H,2-5,8-9H2,1H3
InChIKey MLYWHBXIVHZCLV-UHFFFAOYSA-N
Mol Weight 423.56 g/mol
Molecular Formula C29H29NO2
Exact Mass 423.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25zdRvvcRzN
Name 4'-Cyano[1,1'-biphenyl]-4-yl 4-(4-propylcyclohexyl)benzoate
CAS Registry Number 82406-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29NO2
InChI InChI=1S/C29H29NO2/c1-2-3-21-4-8-23(9-5-21)25-12-14-27(15-13-25)29(31)32-28-18-16-26(17-19-28)24-10-6-22(20-30)7-11-24/h6-7,10-19,21,23H,2-5,8-9H2,1H3
InChIKey MLYWHBXIVHZCLV-UHFFFAOYSA-N
Molecular Weight 423.556 g/mol
SMILES c1cc(OC(c2ccc(C3CCC(CCC)CC3)cc2)=O)ccc1-c1ccc(cc1)C#N
SPLASH splash10-004i-1290000000-4dd238af50513547ec55
Synonyms Benzoic acid, 4-(4-propylcyclohexyl)-, 4'-cyano[1,1'-biphenyl]-4-yl ester [4-(4-cyanophenyl)phenyl] 4-(4-propylcyclohexyl)benzoate
Wiley ID 1476037