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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 6CRZu7VHxmf
Name BENZOIC ACID, 4-(4-PROPYLCYCLOHEXYL)-, 4'-CYANO[1,1'-BIPHENYL]-4-YL ESTER
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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 423.2191
SMILES CCCC1CCC(c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)CC1
SPLASH splash10-004i-1290000000-e554e7a593a75c5953e9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany