![5,15-Di[4-(1-Acetamidomethyladamantyl-3)-3-methoxyphenyl]-10,20-di(4-methoxyphenyl)-21H,23H-porphine](/api/spectrum/6hlWZuGOI9l/structure.png?h=300&w=458 "5,15-Di[4-(1-Acetamidomethyladamantyl-3)-3-methoxyphenyl]-10,20-di(4-methoxyphenyl)-21H,23H-porphine")
| SpectraBase Compound ID | IDCKL77aOhh |
|---|---|
| InChI | InChI=1S/C74H76N6O6/c1-43(81)75-41-71-31-45-27-46(32-71)36-73(35-45,39-71)55-17-11-51(29-65(55)85-5)69-61-23-19-57(77-61)67(49-7-13-53(83-3)14-8-49)59-21-25-63(79-59)70(64-26-22-60(80-64)68(58-20-24-62(69)78-58)50-9-15-54(84-4)16-10-50)52-12-18-56(66(30-52)86-6)74-37-47-28-48(38-74)34-72(33-47,40-74)42-76-44(2)82/h7-26,29-30,45-48,77,80H,27-28,31-42H2,1-6H3,(H,75,81)(H,76,82)/b67-57-,67-59-,68-58-,68-60-,69-61-,69-62-,70-63-,70-64-/t45-,46+,47-,48+,71+,72+,73-,74- |
| InChIKey | SXUGACYOZUBTNF-QWWFTDTBSA-N |
| Mol Weight | 1145.5 g/mol |
| Molecular Formula | C74H76N6O6 |
| Exact Mass | 1144.582634 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6hlWZuGOI9l |
|---|---|
| Name | 5,15-Di[4-(1-Acetamidomethyladamantyl-3)-3-methoxyphenyl]-10,20-di(4-methoxyphenyl)-21H,23H-porphine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C74H76N6O6 |
| InChI | InChI=1S/C74H76N6O6/c1-43(81)75-41-71-31-45-27-46(32-71)36-73(35-45,39-71)55-17-11-51(29-65(55)85-5)69-61-23-19-57(77-61)67(49-7-13-53(83-3)14-8-49)59-21-25-63(79-59)70(64-26-22-60(80-64)68(58-20-24-62(69)78-58)50-9-15-54(84-4)16-10-50)52-12-18-56(66(30-52)86-6)74-37-47-28-48(38-74)34-72(33-47,40-74)42-76-44(2)82/h7-26,29-30,45-48,77,80H,27-28,31-42H2,1-6H3,(H,75,81)(H,76,82)/b67-57-,67-59-,68-58-,68-60-,69-61-,69-62-,70-63-,70-64-/t45-,46+,47-,48+,71+,72+,73-,74- |
| InChIKey | SXUGACYOZUBTNF-QWWFTDTBSA-N |
| Molecular Weight | 1145.458 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(-c3ccc([C@@]45C[C@]6(CNC(=O)C)C[C@](C5)(C[C@](C4)(C6)[H])[H])c(c3)OC)c3ccc(c(c4nc(c2-c2cc(c([C@]56C[C@@]7(C[C@@](C5)(C[C@@](C6)(C7)[H])[H])CNC(=O)C)cc2)OC)cc4)-c2ccc(cc2)OC)[nH]3)cc1)-c1ccc(cc1)OC |
| SPLASH | splash10-0005-0900000000-28117c52bec2b0bb107e |
| Source of Spectrum | NP-16-3170-0 |
| Wiley ID | 1113415 |