| SpectraBase Compound ID | HLInXdL7RKT |
|---|---|
| InChI | InChI=1S/C32H22N4O9S3.3Na/c37-46(38,39)23-8-1-18(2-9-23)31-25-12-5-20(33-25)15-21-6-13-27(34-21)32(19-3-10-24(11-4-19)47(40,41)42)29-17-30(48(43,44)45)28(36-29)16-22-7-14-26(31)35-22;;;/h1-17,34-35H,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3/b20-15-,21-15-,22-16-,28-16-,31-25-,31-26-,32-27-,32-29-;;; |
| InChIKey | LLLOTCRAHXNHIE-LNBGCWBISA-K |
| Mol Weight | 768.67230785 g/mol |
| Molecular Formula | C32H19N4Na3O9S3 |
| Exact Mass | 768.000725 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F057f3Ghbpr |
|---|---|
| Name | 2-SULFONATO-5,15-BIS-(4-SULFONATOPHENYL)-PORPHYRIN-TRISODIUM-SALT |
| CAS Registry Number | 298678-72-5 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H19N4Na3O9S3 |
| InChI | InChI=1S/C32H22N4O9S3.3Na/c37-46(38,39)23-8-1-18(2-9-23)31-25-12-5-20(33-25)15-21-6-13-27(34-21)32(19-3-10-24(11-4-19)47(40,41)42)29-17-30(48(43,44)45)28(36-29)16-22-7-14-26(31)35-22;;;/h1-17,34-35H,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3/b20-15-,21-15-,22-16-,28-16-,31-25-,31-26-,32-27-,32-29-;;; |
| InChIKey | LLLOTCRAHXNHIE-LNBGCWBISA-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 |
| Solvent | DMF-D7 |
| Source File Reference | UWVN23051 |