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7,17-DIETHYL-2,8,12,18-TETRAMETHYL-3,13-[2,3,5,6-TETRAMETHYL-PHENYLENE-1,4-BIS-(PENTAMETHYLENE)]-PORPHYRIN
SpectraBase Compound ID IPBLJXNFNYQ
InChI InChI=1S/C48H60N4/c1-11-35-31(7)41-23-43-34(10)40-22-18-14-16-20-38-29(5)27(3)37(28(4)30(38)6)19-15-13-17-21-39-33(9)44(51-47(39)25-45(35)49-41)24-42-32(8)36(12-2)46(50-42)26-48(40)52-43/h23-26,49-50H,11-22H2,1-10H3/b41-23-,42-24-,43-23-,44-24-,45-25-,46-26-,47-25-,48-26-
InChIKey NFNKCARRXJOCST-RFEZTFDLSA-N
Mol Weight 693.0 g/mol
Molecular Formula C48H60N4
Exact Mass 692.481798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaIw0WUgyIS
Name 7,17-DIETHYL-2,8,12,18-TETRAMETHYL-3,13-[2,3,5,6-TETRAMETHYL-PHENYLENE-1,4-BIS-(PENTAMETHYLENE)]-PORPHYRIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H60N4
InChI InChI=1S/C48H60N4/c1-11-35-31(7)41-23-43-34(10)40-22-18-14-16-20-38-29(5)27(3)37(28(4)30(38)6)19-15-13-17-21-39-33(9)44(51-47(39)25-45(35)49-41)24-42-32(8)36(12-2)46(50-42)26-48(40)52-43/h23-26,49-50H,11-22H2,1-10H3/b41-23-,42-24-,43-23-,44-24-,45-25-,46-26-,47-25-,48-26-
InChIKey NFNKCARRXJOCST-RFEZTFDLSA-N
Literature Reference Author T.P.WIJESEKERA,S.DAVID,J.B.PAINE,B.R.JAMES,D.DOLPHIN
Literature Reference Citation CAN.J.CHEM.,66,2063(1988)
Literature Reference DOI 10.1139/v88-331
Molecular Weight 693.031 g/mol
Solvent CDCl3:CF3COOH=9:1
Source File Reference UWED2458