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 Google Search
Mol Weight	423.56 g/mol
Molecular Formula	C29H29NO2
Exact Mass	423.219829 g/mol

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SpectraBase Spectrum ID	Cg89b0YMyPb
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-0190000000-d6d98c12251d7cc1af93
Source of Spectrum	O-26-146-52
Synonyms	Benzoic acid, 4-(4-propylcyclohexyl)-, 4'-cyano[1,1'-biphenyl]-4-yl ester [4-(4-cyanophenyl)phenyl] 4-(4-propylcyclohexyl)benzoate
Wiley ID	1379014