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Hematoporphyrin dimethyl ester
SpectraBase Compound ID FrIJqP8Wu1Z
InChI InChI=1S/C36H42N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29/h13-16,21-22,38-39,41-42H,9-12H2,1-8H3/b25-13-,26-14-,27-13-,28-15-,29-16-,30-16-,31-14-,32-15-
InChIKey BIONBQTVWKNFKA-HRBATZQVSA-N
Mol Weight 626.8 g/mol
Molecular Formula C36H42N4O6
Exact Mass 626.310435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTIyZYXuwA5
Name 3,8-Bis(1-hydroxy-ethyl)-13,17-bis(2-methoxycarbonyl-ethyl)-2,7,12,18-tetramethyl-porphyrine
CAS Registry Number 32562-61-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H42N4O6
InChI InChI=1S/C36H42N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29/h13-16,21-22,38-39,41-42H,9-12H2,1-8H3/b25-13-,26-14-,27-13-,28-15-,29-16-,30-16-,31-14-,32-15-
InChIKey BIONBQTVWKNFKA-HRBATZQVSA-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