![5-[4-(1-Aminomethyladamantyl-3)-3-methoxyphenyl]-10,15,20-tri(4-methoxyphenyl)-21H,23H-porphine](/api/spectrum/5rTm0ZEmP0a/structure.png?h=300&w=458 "5-[4-(1-Aminomethyladamantyl-3)-3-methoxyphenyl]-10,15,20-tri(4-methoxyphenyl)-21H,23H-porphine")
| SpectraBase Compound ID | 4TlmmmPIBkH |
|---|---|
| InChI | InChI=1S/C59H55N5O4/c1-65-41-12-5-37(6-13-41)54-45-19-21-47(61-45)55(38-7-14-42(66-2)15-8-38)49-23-25-51(63-49)57(52-26-24-50(64-52)56(48-22-20-46(54)62-48)39-9-16-43(67-3)17-10-39)40-11-18-44(53(28-40)68-4)59-31-35-27-36(32-59)30-58(29-35,33-59)34-60/h5-26,28,35-36,61,64H,27,29-34,60H2,1-4H3/b54-45-,54-46-,55-47-,55-49-,56-48-,56-50-,57-51-,57-52-/t35-,36+,58+,59- |
| InChIKey | YCRSDBOTADGDJX-SKBAUFRCSA-N |
| Mol Weight | 898.1 g/mol |
| Molecular Formula | C59H55N5O4 |
| Exact Mass | 897.425405 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5rTm0ZEmP0a |
|---|---|
| Name | 5-[4-(1-Aminomethyladamantyl-3)-3-methoxyphenyl]-10,15,20-tri(4-methoxyphenyl)-21H,23H-porphine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C59H55N5O4 |
| InChI | InChI=1S/C59H55N5O4/c1-65-41-12-5-37(6-13-41)54-45-19-21-47(61-45)55(38-7-14-42(66-2)15-8-38)49-23-25-51(63-49)57(52-26-24-50(64-52)56(48-22-20-46(54)62-48)39-9-16-43(67-3)17-10-39)40-11-18-44(53(28-40)68-4)59-31-35-27-36(32-59)30-58(29-35,33-59)34-60/h5-26,28,35-36,61,64H,27,29-34,60H2,1-4H3/b54-45-,54-46-,55-47-,55-49-,56-48-,56-50-,57-51-,57-52-/t35-,36+,58+,59- |
| InChIKey | YCRSDBOTADGDJX-SKBAUFRCSA-N |
| Molecular Weight | 898.120 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(-c3cc(c([C@@]45C[C@]6(CN)C[C@](C5)(C[C@](C4)(C6)[H])[H])cc3)OC)c3ccc(c(c4nc(c2-c2ccc(OC)cc2)cc4)-c2ccc(cc2)OC)[nH]3)cc1)-c1ccc(cc1)OC |
| SPLASH | splash10-0002-0000000090-445d55f2c5819cf90931 |
| Source of Spectrum | NP-16-3061-0 |
| Wiley ID | 1113406 |