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2,7,12,18-Tetra-tert-butyl-porphyrine

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2,7,12,18-Tetra-tert-butyl-porphyrine
SpectraBase Compound ID ttV5EL5vCP
InChI InChI=1S/C36H46N4/c1-33(2,3)25-14-21-13-22-15-27(35(7,8)9)31(38-22)20-32-28(36(10,11)12)17-24(40-32)19-30-26(34(4,5)6)16-23(39-30)18-29(25)37-21/h13-20,37,40H,1-12H3/b21-13-,22-13-,23-18-,24-19-,29-18-,30-19-,31-20-,32-20-
InChIKey BHDYXYSFDRFNFJ-DHJTXBASSA-N
Mol Weight 534.8 g/mol
Molecular Formula C36H46N4
Exact Mass 534.372247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JrTmZGcNrK
Name 2,7,12,18-Tetra-tert-butyl-porphyrine
CAS Registry Number 52725-37-8
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H46N4
InChI InChI=1S/C36H46N4/c1-33(2,3)25-14-21-13-22-15-27(35(7,8)9)31(38-22)20-32-28(36(10,11)12)17-24(40-32)19-30-26(34(4,5)6)16-23(39-30)18-29(25)37-21/h13-20,37,40H,1-12H3/b21-13-,22-13-,23-18-,24-19-,29-18-,30-19-,31-20-,32-20-
InChIKey BHDYXYSFDRFNFJ-DHJTXBASSA-N
Instrument Name Varian XL-100
Literature Reference B.J. Whitlock, H.W. Whitlock, H.Alles, J. Am. Chem. Soc. 96, 3959 (1974).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3