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7,17-DIETHYL-2,8,12,18-TETRAMETHYL-3,13-[2,3,5,6-TETRAMETHYL-PHENYLENE-1,4-BIS-(HEPTAMETHYLENE)]-PORPHYRIN
SpectraBase Compound ID C1EI1GtsMae
InChI InChI=1S/C52H68N4/c1-11-39-35(7)45-27-47-38(10)44-26-22-18-14-16-20-24-42-33(5)31(3)41(32(4)34(42)6)23-19-15-13-17-21-25-43-37(9)48(55-51(43)29-49(39)53-45)28-46-36(8)40(12-2)50(54-46)30-52(44)56-47/h27-30,53-54H,11-26H2,1-10H3/b45-27-,46-28-,47-27-,48-28-,49-29-,50-30-,51-29-,52-30-
InChIKey SSIPKONQPCFXAM-XQHLLBRXSA-N
Mol Weight 749.1 g/mol
Molecular Formula C52H68N4
Exact Mass 748.544398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tVrZg3ONrr
Name 7,17-DIETHYL-2,8,12,18-TETRAMETHYL-3,13-[2,3,5,6-TETRAMETHYL-PHENYLENE-1,4-BIS-(HEPTAMETHYLENE)]-PORPHYRIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H68N4
InChI InChI=1S/C52H68N4/c1-11-39-35(7)45-27-47-38(10)44-26-22-18-14-16-20-24-42-33(5)31(3)41(32(4)34(42)6)23-19-15-13-17-21-25-43-37(9)48(55-51(43)29-49(39)53-45)28-46-36(8)40(12-2)50(54-46)30-52(44)56-47/h27-30,53-54H,11-26H2,1-10H3/b45-27-,46-28-,47-27-,48-28-,49-29-,50-30-,51-29-,52-30-
InChIKey SSIPKONQPCFXAM-XQHLLBRXSA-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 749.139 g/mol
Solvent CDCl3:CF3COOH=9:1
Source File Reference UWED2460