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5-(4-AMINOPHENYL)-10,15,20-TRISTOLYLPORPHYRIN
SpectraBase Compound ID Fx50WeczIYx
InChI InChI=1S/C47H37N5/c1-28-4-10-31(11-5-28)44-36-20-22-38(49-36)45(32-12-6-29(2)7-13-32)40-24-26-42(51-40)47(34-16-18-35(48)19-17-34)43-27-25-41(52-43)46(39-23-21-37(44)50-39)33-14-8-30(3)9-15-33/h4-27,49,52H,48H2,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKey KXIUCCKZWAJADX-ZQANTMHOSA-N
Mol Weight 671.8 g/mol
Molecular Formula C47H37N5
Exact Mass 671.304896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HC8NU9styw
Name 5-(4-AMINOPHENYL)-10,15,20-TRISTOLYLPORPHYRIN
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H37N5
InChI InChI=1S/C47H37N5/c1-28-4-10-31(11-5-28)44-36-20-22-38(49-36)45(32-12-6-29(2)7-13-32)40-24-26-42(51-40)47(34-16-18-35(48)19-17-34)43-27-25-41(52-43)46(39-23-21-37(44)50-39)33-14-8-30(3)9-15-33/h4-27,49,52H,48H2,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKey KXIUCCKZWAJADX-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 671.844 g/mol
Sample ID 57926
Solvent CDCl3