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isonicotinic acid [2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl] ester

View entire compound with spectra: 1 NMR

isonicotinic acid [2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl] ester
SpectraBase Compound ID HKTGjxGHkMO
InChI InChI=1S/C21H25NO2/c1-15(2)6-5-7-17(4)19-9-8-16(3)14-20(19)24-21(23)18-10-12-22-13-11-18/h6,8-14,17H,5,7H2,1-4H3
InChIKey IGALKRDVNHEEKZ-UHFFFAOYSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CguNw1Zvnm6
Name isonicotinic acid [2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-15(2)6-5-7-17(4)19-9-8-16(3)14-20(19)24-21(23)18-10-12-22-13-11-18/h6,8-14,17H,5,7H2,1-4H3
InChIKey IGALKRDVNHEEKZ-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 323.435 g/mol
Source File Reference MHKO21664