| SpectraBase Compound ID | 3ywkHNo5enq |
|---|---|
| InChI | InChI=1S/C94H58F8N10.2Zn/c1-47-7-19-53(20-8-47)71-63-39-41-65(103-63)72(54-21-9-48(2)10-22-54)67-43-45-69(105-67)74(70-46-44-68(106-70)73(66-42-40-64(71)104-66)55-23-11-49(3)12-24-55)56-31-35-61(36-32-56)111-112-62-37-33-60(34-38-62)78-93-85(101)83(99)91(109-93)76(58-27-15-51(5)16-28-58)89-81(97)79(95)87(107-89)75(57-25-13-50(4)14-26-57)88-80(96)82(98)90(108-88)77(59-29-17-52(6)18-30-59)92-84(100)86(102)94(78)110-92;;/h7-46H,1-6H3;;/q-4;2*+2/b71-63-,71-64-,72-65-,72-67-,73-66-,73-68-,74-69-,74-70-,87-75-,88-75-,89-76-,90-77-,91-76-,92-77-,93-78-,94-78-,112-111+;; |
| InChIKey | BMCWHEMCIPDNQE-NXYQXSJNSA-N |
| Mol Weight | 1610.3 g/mol |
| Molecular Formula | C94H58F8N10Zn2 |
| Exact Mass | 1606.330101 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hDalFDK6f2 |
|---|---|
| Name | DIPORPHYRIN-ZN-COMPLEX |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H58F8N10Zn2 |
| InChI | InChI=1S/C94H58F8N10.2Zn/c1-47-7-19-53(20-8-47)71-63-39-41-65(103-63)72(54-21-9-48(2)10-22-54)67-43-45-69(105-67)74(70-46-44-68(106-70)73(66-42-40-64(71)104-66)55-23-11-49(3)12-24-55)56-31-35-61(36-32-56)111-112-62-37-33-60(34-38-62)78-93-85(101)83(99)91(109-93)76(58-27-15-51(5)16-28-58)89-81(97)79(95)87(107-89)75(57-25-13-50(4)14-26-57)88-80(96)82(98)90(108-88)77(59-29-17-52(6)18-30-59)92-84(100)86(102)94(78)110-92;;/h7-46H,1-6H3;;/q-4;2*+2/b71-63-,71-64-,72-65-,72-67-,73-66-,73-68-,74-69-,74-70-,87-75-,88-75-,89-76-,90-77-,91-76-,92-77-,93-78-,94-78-,112-111+;; |
| InChIKey | BMCWHEMCIPDNQE-NXYQXSJNSA-N |
| Literature Reference Author | S.TSUCHIYA |
| Literature Reference Citation | J.AM.CHEM.SOC.,121,48(1999) |
| Literature Reference DOI | 10.1021/ja980677a |
| Solvent | CDCl3 |
| Source File Reference | UWSI8368 |