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5-(2-PHTHALIMIDOPYRIMIDIN-5-YL)-10,20-BIS-(3,5-DI-TERT.-BUTYLPHENYL)-21H,23H-PORPHINE

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5-(2-PHTHALIMIDOPYRIMIDIN-5-YL)-10,20-BIS-(3,5-DI-TERT.-BUTYLPHENYL)-21H,23H-PORPHINE
SpectraBase Compound ID 8YiSQ2sbjLZ
InChI InChI=1S/C60H59N7O2/c1-57(2,3)37-25-34(26-38(29-37)58(4,5)6)51-45-19-17-41(63-45)31-42-18-20-46(64-42)52(35-27-39(59(7,8)9)30-40(28-35)60(10,11)12)48-22-24-50(66-48)53(49-23-21-47(51)65-49)36-32-61-56(62-33-36)67-54(68)43-15-13-14-16-44(43)55(67)69/h13-33,63,66H,1-12H3/b41-31+,42-31+,51-45+,51-47+,52-46+,52-48-,53-49+,53-50-
InChIKey FOTZPMMYRDKDMH-BADFCFLOSA-N
Mol Weight 910.2 g/mol
Molecular Formula C60H59N7O2
Exact Mass 909.473024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EicVj4G8ZYC
Name 5-(2-PHTHALIMIDOPYRIMIDIN-5-YL)-10,20-BIS-(3,5-DI-TERT.-BUTYLPHENYL)-21H,23H-PORPHINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H59N7O2
InChI InChI=1S/C60H59N7O2/c1-57(2,3)37-25-34(26-38(29-37)58(4,5)6)51-45-19-17-41(63-45)31-42-18-20-46(64-42)52(35-27-39(59(7,8)9)30-40(28-35)60(10,11)12)48-22-24-50(66-48)53(49-23-21-47(51)65-49)36-32-61-56(62-33-36)67-54(68)43-15-13-14-16-44(43)55(67)69/h13-33,63,66H,1-12H3/b41-31+,42-31+,51-45+,51-47+,52-46+,52-48-,53-49+,53-50-
InChIKey FOTZPMMYRDKDMH-BADFCFLOSA-N
Literature Reference Author T.S.BALABAN,R.GODDARD,M.LINKE-SCHAETZEL,J.M.LEHN
Literature Reference Citation J.AM.CHEM.SOC.,125,4233(2003)
Literature Reference DOI 10.1021/ja029548r
Molecular Weight 910.174 g/mol
Sample ID 40867
Solvent CDCl3