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10-BROMO-2-SULFONATO-5,15-BIS-(4-SULFONATOPHENYL)-PORPHYRIN-TRISODIUM-SALT
SpectraBase Compound ID H7O2cQZ4kEP
InChI InChI=1S/C32H21BrN4O9S3.3Na/c33-32-25-13-11-23(35-25)30(17-1-6-20(7-2-17)47(38,39)40)22-10-5-19(34-22)15-27-29(49(44,45)46)16-28(37-27)31(24-12-14-26(32)36-24)18-3-8-21(9-4-18)48(41,42)43;;;/h1-16,34,36H,(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3/b19-15-,27-15-,30-22-,30-23-,31-24-,31-28-,32-25+,32-26+;;;
InChIKey IPIPKHWKNCALHA-AWPGHEOXSA-K
Mol Weight 847.56830785 g/mol
Molecular Formula C32H18BrN4Na3O9S3
Exact Mass 845.911238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfBcYmVEmtx
Name 10-BROMO-2-SULFONATO-5,15-BIS-(4-SULFONATOPHENYL)-PORPHYRIN-TRISODIUM-SALT
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H18BrN4Na3O9S3
InChI InChI=1S/C32H21BrN4O9S3.3Na/c33-32-25-13-11-23(35-25)30(17-1-6-20(7-2-17)47(38,39)40)22-10-5-19(34-22)15-27-29(49(44,45)46)16-28(37-27)31(24-12-14-26(32)36-24)18-3-8-21(9-4-18)48(41,42)43;;;/h1-16,34,36H,(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3/b19-15-,27-15-,30-22-,30-23-,31-24-,31-28-,32-25+,32-26+;;;
InChIKey IPIPKHWKNCALHA-AWPGHEOXSA-K
Literature Reference Author H.GARCIA-ORTEGA,J.CRUSATS,M.FELIZ,J.M.RIBO
Literature Reference Citation J.ORG.CHEM.,67,4170(2002)
Literature Reference DOI 10.1021/jo011134d
Molecular Weight 847.570 g/mol
Solvent DMSO-D6
Source File Reference UWVN23052