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5,10,15,20-Tetrakis(2-bromo-5-methoxyphenyl)porphyrin
SpectraBase Compound ID sHVIOq9TsC
InChI InChI=1S/C48H34Br4N4O4/c1-57-25-5-9-33(49)29(21-25)45-37-13-15-39(53-37)46(30-22-26(58-2)6-10-34(30)50)41-17-19-43(55-41)48(32-24-28(60-4)8-12-36(32)52)44-20-18-42(56-44)47(40-16-14-38(45)54-40)31-23-27(59-3)7-11-35(31)51/h5-24,53,56H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey PYEWFHDLYMQEAT-PJEPRTEXSA-N
Mol Weight 1050.4 g/mol
Molecular Formula C48H34Br4N4O4
Exact Mass 1045.931358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9f5nEeeH8oW
Name 5,10,15,20-Tetrakis(2-bromo-5-methoxyphenyl)porphyrin
CAS Registry Number 105816-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H34Br4N4O4
InChI InChI=1S/C48H34Br4N4O4/c1-57-25-5-9-33(49)29(21-25)45-37-13-15-39(53-37)46(30-22-26(58-2)6-10-34(30)50)41-17-19-43(55-41)48(32-24-28(60-4)8-12-36(32)52)44-20-18-42(56-44)47(40-16-14-38(45)54-40)31-23-27(59-3)7-11-35(31)51/h5-24,53,56H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey PYEWFHDLYMQEAT-PJEPRTEXSA-N
Molecular Weight 1050.440 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3ccc(c(c4nc(c2-c2c(ccc(c2)OC)Br)cc4)-c2c(ccc(c2)OC)Br)[nH]3)-c2c(ccc(c2)OC)Br)cc1)-c1c(ccc(c1)OC)Br
SPLASH splash10-014i-9000000000-cd7b817cb01d05697529
Source of Spectrum C-109-347-4
Synonyms 2,7,12,17-tetrakis(2-bromo-5-methoxyphenyl)-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
Wiley ID 1418498