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5-[2-[3-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOSYLOXY)-PROPYLOXY]-PHENYL]-10,15,20-TRITOLYLPORPHYRINE
SpectraBase Compound ID Bvj6a5hG1S0
InChI InChI=1S/C76H62N4O9/c1-47-24-30-50(31-25-47)67-57-36-38-59(77-57)68(51-32-26-48(2)27-33-51)61-40-42-63(79-61)70(64-43-41-62(80-64)69(60-39-37-58(67)78-60)52-34-28-49(3)29-35-52)56-22-13-14-23-65(56)84-44-15-45-85-76-72(89-75(83)55-20-11-6-12-21-55)71(88-74(82)54-18-9-5-10-19-54)66(87-76)46-86-73(81)53-16-7-4-8-17-53/h4-14,16-43,66,71-72,76-77,80H,15,44-46H2,1-3H3/b67-57-,67-58-,68-59-,68-61-,69-60-,69-62-,70-63-,70-64-/t66-,71-,72-,76-/m1/s1
InChIKey JQMJRYHSCGTOTB-XZYGYVJZSA-N
Mol Weight 1175.4 g/mol
Molecular Formula C76H62N4O9
Exact Mass 1174.45168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2QeKphFSVAc
Name 5-[2-[3-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOSYLOXY)-PROPYLOXY]-PHENYL]-10,15,20-TRITOLYLPORPHYRINE
Compound Number 1 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H62N4O9
InChI InChI=1S/C76H62N4O9/c1-47-24-30-50(31-25-47)67-57-36-38-59(77-57)68(51-32-26-48(2)27-33-51)61-40-42-63(79-61)70(64-43-41-62(80-64)69(60-39-37-58(67)78-60)52-34-28-49(3)29-35-52)56-22-13-14-23-65(56)84-44-15-45-85-76-72(89-75(83)55-20-11-6-12-21-55)71(88-74(82)54-18-9-5-10-19-54)66(87-76)46-86-73(81)53-16-7-4-8-17-53/h4-14,16-43,66,71-72,76-77,80H,15,44-46H2,1-3H3/b67-57-,67-58-,68-59-,68-61-,69-60-,69-62-,70-63-,70-64-/t66-,71-,72-,76-/m1/s1
InChIKey JQMJRYHSCGTOTB-XZYGYVJZSA-N
Literature Reference Author O.GAUD,R.GRANET,M.KAOUADJI,P.KRAUSZ,J.C.BLAIS,G.BOLBACH
Literature Reference Citation CAN.J.CHEM.,74,481(1996)
Literature Reference DOI 10.1139/v96-053
Molecular Weight 1175.350 g/mol
Solvent CDCl3
Source File Reference UWRK3190