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5,15-Bis(4-fluoro-3-methylphenyl)-10,20-bis(4-methoxyphenyl)porphyrin

View entire compound with spectra: 1 MS (GC)

5,15-Bis(4-fluoro-3-methylphenyl)-10,20-bis(4-methoxyphenyl)porphyrin
SpectraBase Compound ID 8E2Z1XRLehE
InChI InChI=1S/C48H36F2N4O2/c1-27-25-31(9-15-35(27)49)47-41-21-17-37(51-41)45(29-5-11-33(55-3)12-6-29)39-19-23-43(53-39)48(32-10-16-36(50)28(2)26-32)44-24-20-40(54-44)46(38-18-22-42(47)52-38)30-7-13-34(56-4)14-8-30/h5-26,51,54H,1-4H3/b45-37-,45-39-,46-38-,46-40-,47-41-,47-42-,48-43-,48-44-
InChIKey JGEGDRMXQSEAKN-UDTYQVGYSA-N
Mol Weight 738.8 g/mol
Molecular Formula C48H36F2N4O2
Exact Mass 738.280633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMNKyIVVTEh
Name 5,15-Bis(4-fluoro-3-methylphenyl)-10,20-bis(4-methoxyphenyl)porphyrin
Alternate Name(s) 2,12-bis(4-fluoro-3-methylphenyl)-7,17-bis(4-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H36F2N4O2
InChI InChI=1S/C48H36F2N4O2/c1-27-25-31(9-15-35(27)49)47-41-21-17-37(51-41)45(29-5-11-33(55-3)12-6-29)39-19-23-43(53-39)48(32-10-16-36(50)28(2)26-32)44-24-20-40(54-44)46(38-18-22-42(47)52-38)30-7-13-34(56-4)14-8-30/h5-26,51,54H,1-4H3/b45-37-,45-39-,46-38-,46-40-,47-41-,47-42-,48-43-,48-44-
InChIKey JGEGDRMXQSEAKN-UDTYQVGYSA-N
Molecular Weight 738.839 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(cc2)OC)cc4)-c2cc(C)c(cc2)F)cc3)-c2ccc(cc2)OC)cc1)-c1cc(C)c(cc1)F
SPLASH splash10-000i-0000000900-ebc4a40250e80a7115ea
Source of Spectrum J-58-7255-37
Wiley ID 1416077