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5-BROMO-10,20-BIS-(3,5-DI-TERT.-BUTYLPHENYL)-21H,23H-PORPHINE

View entire compound with spectra: 1 NMR

5-BROMO-10,20-BIS-(3,5-DI-TERT.-BUTYLPHENYL)-21H,23H-PORPHINE
SpectraBase Compound ID LrJHHZYNH02
InChI InChI=1S/C48H53BrN4/c1-45(2,3)30-21-28(22-31(25-30)46(4,5)6)42-36-15-13-34(50-36)27-35-14-16-37(51-35)43(29-23-32(47(7,8)9)26-33(24-29)48(10,11)12)39-18-20-41(53-39)44(49)40-19-17-38(42)52-40/h13-27,50,53H,1-12H3/b34-27-,35-27-,42-36-,42-38-,43-37-,43-39-,44-40+,44-41+
InChIKey NBLYGDWZDUDQJX-ZPVAIGNTSA-N
Mol Weight 765.9 g/mol
Molecular Formula C48H53BrN4
Exact Mass 764.345361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtpR9XQ57Dd
Name 5-BROMO-10,20-BIS-(3,5-DI-TERT.-BUTYLPHENYL)-21H,23H-PORPHINE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H53BrN4
InChI InChI=1S/C48H53BrN4/c1-45(2,3)30-21-28(22-31(25-30)46(4,5)6)42-36-15-13-34(50-36)27-35-14-16-37(51-35)43(29-23-32(47(7,8)9)26-33(24-29)48(10,11)12)39-18-20-41(53-39)44(49)40-19-17-38(42)52-40/h13-27,50,53H,1-12H3/b34-27-,35-27-,42-36-,42-38-,43-37-,43-39-,44-40+,44-41+
InChIKey NBLYGDWZDUDQJX-ZPVAIGNTSA-N
Literature Reference Author T.S.BALABAN,R.GODDARD,M.LINKE-SCHAETZEL,J.M.LEHN
Literature Reference Citation J.AM.CHEM.SOC.,125,4233(2003)
Literature Reference DOI 10.1021/ja029548r
Molecular Weight 765.880 g/mol
Sample ID 40866
Solvent CDCl3