![21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-[(1-methylethoxy)methyl]-](/api/spectrum/9cpkg2FEql1/structure.png?h=300&w=458 "21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-[(1-methylethoxy)methyl]-")
| SpectraBase Compound ID | 7Ri32rZ5TiY |
|---|---|
| InChI | InChI=1S/C40H54N4O/c1-11-24-26(13-3)35-20-37-28(15-5)30(17-7)39(43-37)32(22-45-23(9)10)40-31(18-8)29(16-6)38(44-40)21-36-27(14-4)25(12-2)34(42-36)19-33(24)41-35/h19-21,23,41,44H,11-18,22H2,1-10H3/b33-19-,34-19-,35-20-,36-21-,37-20-,38-21-,39-32-,40-32- |
| InChIKey | KYJOPPRSXNZRPB-MAKVPPMISA-N |
| Mol Weight | 606.9 g/mol |
| Molecular Formula | C40H54N4O |
| Exact Mass | 606.429762 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9cpkg2FEql1 |
|---|---|
| Name | 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-[(1-methylethoxy)methyl]- |
| Alternate Name(s) | 4,5,9,10,14,15,19,20-octaethyl-2-(isopropoxymethyl)-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 isopropyl[4,5,9,10,14,15,19,20-octaethyl-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-undecaen-2-yl]methyl ether meso-(isopropoxymethyl)octaethylporphyrin |
| CAS Registry Number | 80056-55-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54N4O |
| InChI | InChI=1S/C40H54N4O/c1-11-24-26(13-3)35-20-37-28(15-5)30(17-7)39(43-37)32(22-45-23(9)10)40-31(18-8)29(16-6)38(44-40)21-36-27(14-4)25(12-2)34(42-36)19-33(24)41-35/h19-21,23,41,44H,11-18,22H2,1-10H3/b33-19-,34-19-,35-20-,36-21-,37-20-,38-21-,39-32-,40-32- |
| InChIKey | KYJOPPRSXNZRPB-MAKVPPMISA-N |
| Molecular Weight | 606.899 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2COC(C)C)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC |
| SPLASH | splash10-052b-0000093000-3ada8c8468d7fac04ea9 |
| Source of Spectrum | KC-1981-2627-0 |
| Wiley ID | 1410645 |