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6-[(4'-CYANO-[1,1'-BIPHENYL]-4-YL)-OXY]-HEXYL-METHYL-MALONATE
SpectraBase Compound ID 7npqyfi9qBs
InChI InChI=1S/C23H25NO5/c1-27-22(25)16-23(26)29-15-5-3-2-4-14-28-21-12-10-20(11-13-21)19-8-6-18(17-24)7-9-19/h6-13H,2-5,14-16H2,1H3
InChIKey MXIKYBIZGTZMAQ-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C23H25NO5
Exact Mass 395.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWkuG3lQQX5
Name 6-[(4'-CYANO-[1,1'-BIPHENYL]-4-YL)-OXY]-HEXYL-METHYL-MALONATE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25NO5
InChI InChI=1S/C23H25NO5/c1-27-22(25)16-23(26)29-15-5-3-2-4-14-28-21-12-10-20(11-13-21)19-8-6-18(17-24)7-9-19/h6-13H,2-5,14-16H2,1H3
InChIKey MXIKYBIZGTZMAQ-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 395.455 g/mol
Solvent CDCl3
Source File Reference UWIR10153