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4-(10',15',20'-Triphenylporphyrin-5'-yl)-1,2-benzoquinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(10',15',20'-Triphenylporphyrin-5'-yl)-1,2-benzoquinone
SpectraBase Compound ID CAZYGTpLeCA
InChI InChI=1S/C44H28N4O2/c49-39-25-16-30(26-40(39)50)44-37-23-21-35(47-37)42(28-12-6-2-7-13-28)33-19-17-31(45-33)41(27-10-4-1-5-11-27)32-18-20-34(46-32)43(29-14-8-3-9-15-29)36-22-24-38(44)48-36/h1-26,45,48H/b41-31-,41-32-,42-33-,42-35-,43-34-,43-36-,44-37-,44-38-
InChIKey BVBAPVZECCVHPU-KFLZKQPWSA-N
Mol Weight 644.7 g/mol
Molecular Formula C44H28N4O2
Exact Mass 644.221226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PSGdgIrSJs
Name 4-(10',15',20'-Triphenylporphyrin-5'-yl)-1,2-benzoquinone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H28N4O2
InChI InChI=1S/C44H28N4O2/c49-39-25-16-30(26-40(39)50)44-37-23-21-35(47-37)42(28-12-6-2-7-13-28)33-19-17-31(45-33)41(27-10-4-1-5-11-27)32-18-20-34(46-32)43(29-14-8-3-9-15-29)36-22-24-38(44)48-36/h1-26,45,48H/b41-31-,41-32-,42-33-,42-35-,43-34-,43-36-,44-37-,44-38-
InChIKey BVBAPVZECCVHPU-KFLZKQPWSA-N
Molecular Weight 644.734 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)C2=CC(=O)C(C=C2)=O)cc3)-c2ccccc2)cc1)-c1ccccc1
SPLASH splash10-052e-3610009000-79cc854265db7743068b
Source of Spectrum K1-2000-2311-3
Wiley ID 750464