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trans, cis,trans-2,3,7,8,12,13,17,18-Octaethyl-isobacteriochlorin

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trans, cis,trans-2,3,7,8,12,13,17,18-Octaethyl-isobacteriochlorin
SpectraBase Compound ID DKnfIUoYMHe
InChI InChI=1S/C36H50N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-24,37,40H,9-16H2,1-8H3/b29-17-,30-18-,33-19-,34-20-
InChIKey MKEUVOVZYZPYOG-AHSXOTGCSA-N
Mol Weight 538.8 g/mol
Molecular Formula C36H50N4
Exact Mass 538.403548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bd0N3SujP8
Name trans, trans,trans-2,3,7,8,12,13,17,18-Octaethyl-isobacteriochlorin
CAS Registry Number 76582-28-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H50N4
InChI InChI=1S/C36H50N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-24,37,40H,9-16H2,1-8H3/b29-17-,30-18-,33-19-,34-20-
InChIKey MKEUVOVZYZPYOG-AHSXOTGCSA-N
Literature Reference C. Angst, M. Kajiwara, A. Eschenmoser, Angew. Chem. 92, 139 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3