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2-Methyl-5,10,15,20-tetraphenylporphyrin
SpectraBase Compound ID 3ZyQXaqCZwQ
InChI InChI=1S/C45H32N4/c1-29-28-40-43(32-18-10-4-11-19-32)38-25-24-36(47-38)41(30-14-6-2-7-15-30)34-22-23-35(46-34)42(31-16-8-3-9-17-31)37-26-27-39(48-37)44(45(29)49-40)33-20-12-5-13-21-33/h2-28,46,49H,1H3/b41-34-,41-36-,42-35-,42-37-,43-38-,43-40-,44-39-,45-44-
InChIKey BJBNITCCUWHTIU-WRBHSUHOSA-N
Mol Weight 628.8 g/mol
Molecular Formula C45H32N4
Exact Mass 628.262697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KxCRE594yQ
Name 2-Methyl-5,10,15,20-tetraphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H32N4
InChI InChI=1S/C45H32N4/c1-29-28-40-43(32-18-10-4-11-19-32)38-25-24-36(47-38)41(30-14-6-2-7-15-30)34-22-23-35(46-34)42(31-16-8-3-9-17-31)37-26-27-39(48-37)44(45(29)49-40)33-20-12-5-13-21-33/h2-28,46,49H,1H3/b41-34-,41-36-,42-35-,42-37-,43-38-,43-40-,44-39-,45-44-
InChIKey BJBNITCCUWHTIU-WRBHSUHOSA-N
Molecular Weight 628.779 g/mol
SMILES [nH]1c2c(cc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1)C
SPLASH splash10-004i-0100009000-f0b7e17f33b5d48f323d
Source of Spectrum J-59-4436-15
Synonyms 4-Methyl-2,7,12,17-tetraphenyl-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 1412029