| SpectraBase Compound ID | 5TJC5ooZr3L |
|---|---|
| InChI | InChI=1S/C42H51N5/c1-9-26-28(11-3)36-22-38-30(13-5)32(15-7)41(46-38)40(24-17-19-25(43)20-18-24)42-33(16-8)31(14-6)39(47-42)23-37-29(12-4)27(10-2)35(45-37)21-34(26)44-36/h17-23,44,47H,9-16,43H2,1-8H3/b34-21-,35-21-,36-22-,37-23-,38-22-,39-23-,41-40-,42-40- |
| InChIKey | QNKSFFWATVUJAC-ZWZZMSQRSA-N |
| Mol Weight | 625.9 g/mol |
| Molecular Formula | C42H51N5 |
| Exact Mass | 625.414447 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gmck6ajiQkc |
|---|---|
| Name | 5-Anilinoyloctaethylporphrin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H51N5 |
| InChI | InChI=1S/C42H51N5/c1-9-26-28(11-3)36-22-38-30(13-5)32(15-7)41(46-38)40(24-17-19-25(43)20-18-24)42-33(16-8)31(14-6)39(47-42)23-37-29(12-4)27(10-2)35(45-37)21-34(26)44-36/h17-23,44,47H,9-16,43H2,1-8H3/b34-21-,35-21-,36-22-,37-23-,38-22-,39-23-,41-40-,42-40- |
| InChIKey | QNKSFFWATVUJAC-ZWZZMSQRSA-N |
| Molecular Weight | 625.905 g/mol |
| SMILES | [nH]1c2c(-c3ccc(cc3)N)c3nc(cc4c(c(c(cc5nc(cc1c(c2CC)CC)c(c5CC)CC)[nH]4)CC)CC)c(c3CC)CC |
| SPLASH | splash10-004i-0000009000-ed17b7450deddb9f0d85 |
| Source of Spectrum | Y1-45-1649-3 |
| Wiley ID | 1621875 |