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Protoporphyrin IX dimethyl ester
SpectraBase Compound ID 8d9GeAIctI7
InChI InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37,40H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey WASRLAPXOHTNAX-MFBGAUBSSA-N
Mol Weight 590.7 g/mol
Molecular Formula C36H38N4O4
Exact Mass 590.289306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KR9nf0Fj8Cb
Name Protoporphyrin-ix dimethyl ester
CAS Registry Number 5522-66-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H38N4O4
InChI InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37,40H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChIKey WASRLAPXOHTNAX-MFBGAUBSSA-N
Instrument Name Varian XL-100
Literature Reference A.R. Battersby, G.L. Hodgson, M.Ihara, J. Chem. Soc. Perkin I 2923 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3