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7,17-DIETHYL-2,8,12,18-TETRAMETHYL-3,13-[2,3,5,6-TETRAMETHYL-PHENYLENE-1,4-BIS-(TETRAMETHYLENE)]-PORPHYRIN
SpectraBase Compound ID GfijqmrtKg2
InChI InChI=1S/C46H56N4/c1-11-33-29(7)39-21-41-32(10)38-20-16-14-18-36-27(5)25(3)35(26(4)28(36)6)17-13-15-19-37-31(9)42(49-45(37)23-43(33)47-39)22-40-30(8)34(12-2)44(48-40)24-46(38)50-41/h21-24,47-48H,11-20H2,1-10H3/b39-21-,40-22-,41-21-,42-22-,43-23-,44-24-,45-23-,46-24-
InChIKey HCEHFKLRVQJOPD-ZZFZATALSA-N
Mol Weight 665.0 g/mol
Molecular Formula C46H56N4
Exact Mass 664.450498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eo3hGuWWXZs
Name 7,17-DIETHYL-2,8,12,18-TETRAMETHYL-3,13-[2,3,5,6-TETRAMETHYL-PHENYLENE-1,4-BIS-(TETRAMETHYLENE)]-PORPHYRIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H56N4
InChI InChI=1S/C46H56N4/c1-11-33-29(7)39-21-41-32(10)38-20-16-14-18-36-27(5)25(3)35(26(4)28(36)6)17-13-15-19-37-31(9)42(49-45(37)23-43(33)47-39)22-40-30(8)34(12-2)44(48-40)24-46(38)50-41/h21-24,47-48H,11-20H2,1-10H3/b39-21-,40-22-,41-21-,42-22-,43-23-,44-24-,45-23-,46-24-
InChIKey HCEHFKLRVQJOPD-ZZFZATALSA-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 664.977 g/mol
Solvent CDCl3:CF3COOH=9:1
Source File Reference UWED2459