| 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
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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 |