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5-(4-NITROPHENYL)-10,15,20-TRISTOLYLPORPHYRIN

View entire compound with spectra: 1 NMR

5-(4-NITROPHENYL)-10,15,20-TRISTOLYLPORPHYRIN
SpectraBase Compound ID CItnRR4qFEt
InChI InChI=1S/C47H35N5O2/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(19-17-34)52(53)54)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48,51H,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKey LHMMTUAQDBKCBX-ZQANTMHOSA-N
Mol Weight 701.8 g/mol
Molecular Formula C47H35N5O2
Exact Mass 701.279075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nLBivJurxg
Name 5-(4-NITROPHENYL)-10,15,20-TRISTOLYLPORPHYRIN
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H35N5O2
InChI InChI=1S/C47H35N5O2/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(19-17-34)52(53)54)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48,51H,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKey LHMMTUAQDBKCBX-ZQANTMHOSA-N
Literature Reference Author V.SOL,J.C.BLAIS,V.CARRE,R.GRANET,M.GUILLOTON,M.SPIRO,P.KRAUS Z
Literature Reference Citation J.ORG.CHEM.,64,4431(1999)
Literature Reference DOI 10.1021/jo982499+
Molecular Weight 701.827 g/mol
Sample ID 57918
Solvent CDCl3