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6-[2,4-dicyano-5-(6-keto-6-methoxy-hexyl)phenyl]hexanoic acid methyl ester
SpectraBase Compound ID 5mAP3H3LLyx
InChI InChI=1S/C22H28N2O4/c1-27-21(25)11-7-3-5-9-17-13-18(20(16-24)14-19(17)15-23)10-6-4-8-12-22(26)28-2/h13-14H,3-12H2,1-2H3
InChIKey FTWOEIYMSSKIMR-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CN24QqArBvc
Name 6-[2,4-dicyano-5-(6-keto-6-methoxy-hexyl)phenyl]hexanoic acid methyl ester
CAS Registry Number 139071-43-5
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-27-21(25)11-7-3-5-9-17-13-18(20(16-24)14-19(17)15-23)10-6-4-8-12-22(26)28-2/h13-14H,3-12H2,1-2H3
InChIKey FTWOEIYMSSKIMR-UHFFFAOYSA-N
Literature Reference Author M.MELLA,E.FASANI,A.ALBINI
Literature Reference Citation J.ORG.CHEM.,57,3051(1992)
Literature Reference DOI 10.1021/jo00037a020
Molecular Weight 384.475 g/mol
Solvent CDCl3
Source File Reference UWCS7548