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8-(ORTHO-CARBOXYPHENYL)-3-ETHYL-2,7,9-TRIMETHYL-1,10-DIHYDRO-11H-DIPYRRIN-1-ONE
SpectraBase Compound ID 9xddUNNzE9W
InChI InChI=1S/C21H22N2O3/c1-5-14-11(2)20(24)23-18(14)10-17-12(3)19(13(4)22-17)15-8-6-7-9-16(15)21(25)26/h6-10,22H,5H2,1-4H3,(H,23,24)(H,25,26)/b18-10-
InChIKey YQDMOJFQQCJILT-ZDLGFXPLSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PTDDwBYBxS
Name 8-(ORTHO-CARBOXYPHENYL)-3-ETHYL-2,7,9-TRIMETHYL-1,10-DIHYDRO-11H-DIPYRRIN-1-ONE
Compound Number 4O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-5-14-11(2)20(24)23-18(14)10-17-12(3)19(13(4)22-17)15-8-6-7-9-16(15)21(25)26/h6-10,22H,5H2,1-4H3,(H,23,24)(H,25,26)/b18-10-
InChIKey YQDMOJFQQCJILT-ZDLGFXPLSA-N
Literature Reference Author S.E.BOIADJIEV,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,68,7591(2003)
Literature Reference DOI 10.1021/jo030091t
Molecular Weight 350.417 g/mol
Solvent DMSO-D6;0.02M
Source File Reference UWLU27359