| SpectraBase Compound ID | LvdUdvt20nI |
|---|---|
| InChI | InChI=1S/C51H56N8O3/c1-48(2,3)25-60-29-14-18-33-37(22-29)46-55-41(33)53-44-36-21-28(51(10,11)12)13-17-32(36)40(52-44)54-45-38-23-30(61-26-49(4,5)6)15-19-34(38)42(56-45)58-47-39-24-31(62-27-50(7,8)9)16-20-35(39)43(57-46)59-47/h13-24H,25-27H2,1-12H3,(H2,52,53,54,55,56,57,58,59) |
| InChIKey | AXQMMRFIXOYJJG-UHFFFAOYSA-N |
| Mol Weight | 829.1 g/mol |
| Molecular Formula | C51H56N8O3 |
| Exact Mass | 828.447538 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiAnrANSZ2J |
|---|---|
| Name | 2-TERT.-BUTYL-9,16,23-TRINEOPENTOXYPHTHALOCYANINE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H56N8O3 |
| InChI | InChI=1S/C51H56N8O3/c1-48(2,3)25-60-29-14-18-33-37(22-29)46-55-41(33)53-44-36-21-28(51(10,11)12)13-17-32(36)40(52-44)54-45-38-23-30(61-26-49(4,5)6)15-19-34(38)42(56-45)58-47-39-24-31(62-27-50(7,8)9)16-20-35(39)43(57-46)59-47/h13-24H,25-27H2,1-12H3,(H2,52,53,54,55,56,57,58,59) |
| InChIKey | AXQMMRFIXOYJJG-UHFFFAOYSA-N |
| Literature Reference Author | C.C.LEZNOFF,C.R.MCARTHUR,Y.QIN |
| Literature Reference Citation | CAN.J.CHEM.,71,1319(1993) |
| Literature Reference DOI | 10.1139/v93-170 |
| Molecular Weight | 829.057 g/mol |
| Solvent | TOLUENE-D8 |
| Source File Reference | UWVP5328 |