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6-[(4'-CYANO-[1,1'-BIPHENYL]-4-YL)-OXY]-HEXYL-2-CYANOACETATE
SpectraBase Compound ID 4Cd0ktcHEHH
InChI InChI=1S/C22H22N2O3/c23-14-13-22(25)27-16-4-2-1-3-15-26-21-11-9-20(10-12-21)19-7-5-18(17-24)6-8-19/h5-12H,1-4,13,15-16H2
InChIKey OPRQICVCZWCZLT-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KO3RrsQi1A2
Name 6-[(4'-CYANO-[1,1'-BIPHENYL]-4-YL)-OXY]-HEXYL-2-CYANOACETATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c23-14-13-22(25)27-16-4-2-1-3-15-26-21-11-9-20(10-12-21)19-7-5-18(17-24)6-8-19/h5-12H,1-4,13,15-16H2
InChIKey OPRQICVCZWCZLT-UHFFFAOYSA-N
Literature Reference Author K.C.KRESS,M.KALLER,K.V.AXENOV,S.TUSSETSCHLAEGER,S.LASCHAT
Literature Reference Citation BEIL.J.ORG.CHEM.,8,371(2012)
Literature Reference DOI 10.3762/bjoc.8.40
Molecular Weight 362.428 g/mol
Solvent CDCl3
Source File Reference UWIR10155