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5-(2-NITROPHENYL)-10,15,20-TRISTOLYLPORPHYRIN

View entire compound with spectra: 1 NMR

5-(2-NITROPHENYL)-10,15,20-TRISTOLYLPORPHYRIN
SpectraBase Compound ID E7hGKtlOO8i
InChI InChI=1S/C47H35N5O2/c1-28-8-14-31(15-9-28)44-35-20-22-37(48-35)45(32-16-10-29(2)11-17-32)39-24-26-41(50-39)47(34-6-4-5-7-43(34)52(53)54)42-27-25-40(51-42)46(38-23-21-36(44)49-38)33-18-12-30(3)13-19-33/h4-27,48,51H,1-3H3/b44-35-,44-36-,45-37-,45-39-,46-38-,46-40-,47-41-,47-42-
InChIKey QSKZCBMNMCWFRX-PKUICKBVSA-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 FxrHq1NcAnk
Name 5-(2-NITROPHENYL)-10,15,20-TRISTOLYLPORPHYRIN
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H35N5O2
InChI InChI=1S/C47H35N5O2/c1-28-8-14-31(15-9-28)44-35-20-22-37(48-35)45(32-16-10-29(2)11-17-32)39-24-26-41(50-39)47(34-6-4-5-7-43(34)52(53)54)42-27-25-40(51-42)46(38-23-21-36(44)49-38)33-18-12-30(3)13-19-33/h4-27,48,51H,1-3H3/b44-35-,44-36-,45-37-,45-39-,46-38-,46-40-,47-41-,47-42-
InChIKey QSKZCBMNMCWFRX-PKUICKBVSA-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 57917
Solvent CDCl3