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trans, cis,trans-2,3,7,8,12,13,17,18-Octaethyl-2,3,7,8,15,23-hexahydro-porphyrin
SpectraBase Compound ID 3ajbbDUz4Yz
InChI InChI=1S/C36H52N4/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/h17-19,21-24,37,39-40H,9-16,20H2,1-8H3/b29-17-,30-18-,33-19-
InChIKey JNXWIEMXDQJDIN-SVTQHBMASA-N
Mol Weight 540.8 g/mol
Molecular Formula C36H52N4
Exact Mass 540.419198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cq0WD9D8bwq
Name trans, cis,trans-2,3,7,8,12,13,17,18-Octaethyl-2,3,7,8,15,23-hexahydro-porphyrin
CAS Registry Number 72812-08-9
Comments C22/28 AND C24/26: TWO SIGNALS OUT OF 10.66, 10.91, 11.05, 11.45
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C36H52N4
InChI InChI=1S/C36H52N4/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/h17-19,21-24,37,39-40H,9-16,20H2,1-8H3/b29-17-,30-18-,33-19-
InChIKey JNXWIEMXDQJDIN-SVTQHBMASA-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