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5-Hexyl-10,15,20-tris(3-methoxyphenyl)porphyrin
SpectraBase Compound ID 3rn9bW6bYDu
InChI InChI=1S/C47H44N4O3/c1-5-6-7-8-18-36-37-19-21-39(48-37)45(30-12-9-15-33(27-30)52-2)41-23-25-43(50-41)47(32-14-11-17-35(29-32)54-4)44-26-24-42(51-44)46(40-22-20-38(36)49-40)31-13-10-16-34(28-31)53-3/h9-17,19-29,48,51H,5-8,18H2,1-4H3/b37-36-,38-36-,45-39-,45-41-,46-40-,46-42-,47-43-,47-44-
InChIKey WTWQPTQYHLLXAU-YBSLVAGYSA-N
Mol Weight 712.9 g/mol
Molecular Formula C47H44N4O3
Exact Mass 712.341341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8U1wQp5vvM
Name 5-Hexyl-10,15,20-tris(3-methoxyphenyl)porphyrin
Alternate Name(s) 2-Hexyl-7,12,17-tris(3-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 C47H44N4O3
InChI InChI=1S/C47H44N4O3/c1-5-6-7-8-18-36-37-19-21-39(48-37)45(30-12-9-15-33(27-30)52-2)41-23-25-43(50-41)47(32-14-11-17-35(29-32)54-4)44-26-24-42(51-44)46(40-22-20-38(36)49-40)31-13-10-16-34(28-31)53-3/h9-17,19-29,48,51H,5-8,18H2,1-4H3/b37-36-,38-36-,45-39-,45-41-,46-40-,46-42-,47-43-,47-44-
InChIKey WTWQPTQYHLLXAU-YBSLVAGYSA-N
Molecular Weight 712.894 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)ccc2)cc4)-c2cc(OC)ccc2)cc3)CCCCCC)cc1)-c1cc(OC)ccc1
SPLASH splash10-03di-0000002900-69a4ca3e744808880f81
Source of Spectrum KC-91-5552-51
Wiley ID 1629472