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5-(4-nitrophenyl)-10,15,20-triphenylprophyrin
SpectraBase Compound ID KoPqHFZ2t8m
InChI InChI=1S/C44H29N5O2/c50-49(51)32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey ZOYKPLGODAQGNN-LWQDQPMZSA-N
Mol Weight 659.7 g/mol
Molecular Formula C44H29N5O2
Exact Mass 659.232125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LV1KfLkObpv
Name 5-(4-nitrophenyl)-10,15,20-triphenylprophyrin
Alternate Name(s) 2-(4-nitrophenyl)-7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
CAS Registry Number 67605-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H29N5O2
InChI InChI=1S/C44H29N5O2/c50-49(51)32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45,48H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKey ZOYKPLGODAQGNN-LWQDQPMZSA-N
Molecular Weight 659.749 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)cc3)-c2ccc(N(=O)=O)cc2)cc1)-c1ccccc1
SPLASH splash10-0bt9-0002009000-df4f2a6f7f800f3ced20
Source of Spectrum J-54-2755-1
Wiley ID 1413536