| SpectraBase Compound ID | 4MfiMVmYx89 |
|---|---|
| InChI | InChI=1S/C39H44N4O/c1-4-6-8-10-12-31-33-20-16-28(40-33)26-29-17-21-37(41-29)39(27-14-18-30(44-3)19-15-27)38-25-24-36(43-38)32(13-11-9-7-5-2)35-23-22-34(31)42-35/h14-26,40,43H,4-13H2,1-3H3/b28-26-,29-26-,33-31-,34-31-,35-32-,36-32-,39-37-,39-38- |
| InChIKey | YJDDUSWRMCOECX-YBIYCIFASA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C39H44N4O |
| Exact Mass | 584.351512 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1j8moqZFFJj |
|---|---|
| Name | 5,10-Dihexyl-15-(4-methoxyphenyl)porphyrin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H44N4O |
| InChI | InChI=1S/C39H44N4O/c1-4-6-8-10-12-31-33-20-16-28(40-33)26-29-17-21-37(41-29)39(27-14-18-30(44-3)19-15-27)38-25-24-36(43-38)32(13-11-9-7-5-2)35-23-22-34(31)42-35/h14-26,40,43H,4-13H2,1-3H3/b28-26-,29-26-,33-31-,34-31-,35-32-,36-32-,39-37-,39-38- |
| InChIKey | YJDDUSWRMCOECX-YBIYCIFASA-N |
| Molecular Weight | 584.808 g/mol |
| SMILES | [nH]1c2c(c3nc(c(c4[nH]c(c(c5nc(cc1cc2)cc5)-c1ccc(cc1)OC)cc4)CCCCCC)cc3)CCCCCC |
| SPLASH | splash10-01qi-0000090000-8a00c695314c617ee015 |
| Source of Spectrum | KC-91-5550-37 |
| Synonyms | 2,17-dihexyl-12-(4-methoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene 4-[12,17-dihexyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]phenyl methyl ether |
| Wiley ID | 1629480 |