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5-Cyano-2,2,8,8,12,13,17,18-octamethyl-2,3,7,8,15,23-hexahydro-porphyrin

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5-Cyano-2,2,8,8,12,13,17,18-octamethyl-2,3,7,8,15,23-hexahydro-porphyrin
SpectraBase Compound ID 6h9Cv5SQodI
InChI InChI=1S/C29H35N5/c1-15-17(3)22-10-26-28(5,6)12-24(33-26)19(14-30)25-13-29(7,8)27(34-25)11-23-18(4)16(2)21(32-23)9-20(15)31-22/h10-11,31-33H,9,12-13H2,1-8H3/b24-19-,26-10-,27-11-
InChIKey XIVBJBBYIYVWSV-GGYTUIAESA-N
Mol Weight 453.6 g/mol
Molecular Formula C29H35N5
Exact Mass 453.289246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JO13cEpHpkN
Name 5-Cyano-2,2,8,8,12,13,17,18-octamethyl-2,3,7,8,15,23-hexahydro-porphyrin
CAS Registry Number 72827-07-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H35N5
InChI InChI=1S/C29H35N5/c1-15-17(3)22-10-26-28(5,6)12-24(33-26)19(14-30)25-13-29(7,8)27(34-25)11-23-18(4)16(2)21(32-23)9-20(15)31-22/h10-11,31-33H,9,12-13H2,1-8H3/b24-19-,26-10-,27-11-
InChIKey XIVBJBBYIYVWSV-GGYTUIAESA-N
Literature Reference P. Naab, R. Lattmann, A. Eschenmoser, Angew. Chem. 92, 143 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3