| SpectraBase Compound ID | 9JhtDSbcSif |
|---|---|
| InChI | InChI=1S/C44H28N4O5/c49-28-7-1-4-24(20-28)41-31-11-13-33(45-31)42(25-5-2-8-29(50)21-25)35-15-17-37(47-35)44(27-10-19-39(52)40(53)23-27)38-18-16-36(48-38)43(34-14-12-32(41)46-34)26-6-3-9-30(51)22-26/h1-23,45,48-51H/b41-31-,41-32-,42-33-,42-35-,43-34-,43-36-,44-37-,44-38- |
| InChIKey | ODOMMPNHSRKFKT-KFLZKQPWSA-N |
| Mol Weight | 692.7 g/mol |
| Molecular Formula | C44H28N4O5 |
| Exact Mass | 692.20597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4e9Wsbtwc6c |
|---|---|
| Name | 5-(3,4-BENZOQUINONYL)-10,15,20-TRIS-(3-HYDROXYPHENYL)-PORPHYRIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H28N4O5 |
| InChI | InChI=1S/C44H28N4O5/c49-28-7-1-4-24(20-28)41-31-11-13-33(45-31)42(25-5-2-8-29(50)21-25)35-15-17-37(47-35)44(27-10-19-39(52)40(53)23-27)38-18-16-36(48-38)43(34-14-12-32(41)46-34)26-6-3-9-30(51)22-26/h1-23,45,48-51H/b41-31-,41-32-,42-33-,42-35-,43-34-,43-36-,44-37-,44-38- |
| InChIKey | ODOMMPNHSRKFKT-KFLZKQPWSA-N |
| Literature Reference Author | R.BONNETT,G.MARTINEZ |
| Literature Reference Citation | ORG.LETTERS,4,2013(2002) |
| Literature Reference DOI | 10.1021/ol025842c |
| Molecular Weight | 692.730 g/mol |
| Sample ID | 28335 |
| Solvent | ACETONE-D6 |