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2,3,7,8,12,13,17,18-Octamethyl-5,15-diphenylporphyrin
SpectraBase Compound ID HWv9GP1Qfkh
InChI InChI=1S/C40H38N4/c1-21-25(5)37-35(29-15-11-9-12-16-29)38-27(7)23(3)33(43-38)20-34-24(4)28(8)40(44-34)36(30-17-13-10-14-18-30)39-26(6)22(2)32(42-39)19-31(21)41-37/h9-20,41,44H,1-8H3/b31-19-,32-19-,33-20-,34-20-,37-35-,38-35-,39-36-,40-36-
InChIKey VUMBVYKUFDOWRW-DFNZPLPFSA-N
Mol Weight 574.8 g/mol
Molecular Formula C40H38N4
Exact Mass 574.309647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZkHBFQlbgl
Name 2,3,7,8,12,13,17,18-Octamethyl-5,15-diphenylporphyrin
CAS Registry Number 82542-56-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H38N4
InChI InChI=1S/C40H38N4/c1-21-25(5)37-35(29-15-11-9-12-16-29)38-27(7)23(3)33(43-38)20-34-24(4)28(8)40(44-34)36(30-17-13-10-14-18-30)39-26(6)22(2)32(42-39)19-31(21)41-37/h9-20,41,44H,1-8H3/b31-19-,32-19-,33-20-,34-20-,37-35-,38-35-,39-36-,40-36-
InChIKey VUMBVYKUFDOWRW-DFNZPLPFSA-N
Molecular Weight 574.772 g/mol
SMILES [nH]1c2c(c(c1cc1nc(c(c3[nH]c(cc4nc(c2-c2ccccc2)c(c4C)C)c(c3C)C)-c2ccccc2)c(c1C)C)C)C
SPLASH splash10-00fr-0000090000-16ab1595c76a81f61ba8
Source of Spectrum K-125-2300-81
Synonyms 4,5,9,10,14,15,19,20-octamethyl-2,12-diphenyl-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 1408106