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HEMIRUBIN;9-[2-(2-CARBOXYETHYL)-BENZYL]-2,3,7,8-TETRAMETHYLDIPYRRINONE
SpectraBase Compound ID LQNbeWJON3s
InChI InChI=1S/C23H26N2O3/c1-13-14(2)20(12-21-15(3)16(4)23(28)25-21)24-19(13)11-18-8-6-5-7-17(18)9-10-22(26)27/h5-8,12,24H,9-11H2,1-4H3,(H,25,28)(H,26,27)/b21-12-
InChIKey JSLURFKVLYAQPR-MTJSOVHGSA-N
Mol Weight 378.47 g/mol
Molecular Formula C23H26N2O3
Exact Mass 378.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5hFD5yPx9RB
Name HEMIRUBIN;9-[2-(2-CARBOXYETHYL)-BENZYL]-2,3,7,8-TETRAMETHYLDIPYRRINONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N2O3
InChI InChI=1S/C23H26N2O3/c1-13-14(2)20(12-21-15(3)16(4)23(28)25-21)24-19(13)11-18-8-6-5-7-17(18)9-10-22(26)27/h5-8,12,24H,9-11H2,1-4H3,(H,25,28)(H,26,27)/b21-12-
InChIKey JSLURFKVLYAQPR-MTJSOVHGSA-N
Literature Reference Author Q.CHEN,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,63,2665(1998)
Literature Reference DOI 10.1021/jo972227r
Molecular Weight 378.471 g/mol
Sample ID 37050
Solvent CDCl3