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2,3,7,8,12,13,17,18-Octaethyl-5-phenoxyporphyrine
SpectraBase Compound ID BVGKaprI1Cl
InChI InChI=1S/C42H50N4O/c1-9-26-28(11-3)36-23-38-30(13-5)32(15-7)40(45-38)42(47-25-20-18-17-19-21-25)41-33(16-8)31(14-6)39(46-41)24-37-29(12-4)27(10-2)35(44-37)22-34(26)43-36/h17-24,43,46H,9-16H2,1-8H3/b34-22-,35-22-,36-23-,37-24-,38-23-,39-24-,42-40+,42-41+
InChIKey MLMNPGXFEILWCB-RFJSBULTSA-N
Mol Weight 626.9 g/mol
Molecular Formula C42H50N4O
Exact Mass 626.398462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXaAQSVbXXj
Name 2,3,7,8,12,13,17,18-Octaethyl-5-phenoxyporphyrine
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Formula C42H50N4O
InChI InChI=1S/C42H50N4O/c1-9-26-28(11-3)36-23-38-30(13-5)32(15-7)40(45-38)42(47-25-20-18-17-19-21-25)41-33(16-8)31(14-6)39(46-41)24-37-29(12-4)27(10-2)35(44-37)22-34(26)43-36/h17-24,43,46H,9-16H2,1-8H3/b34-22-,35-22-,36-23-,37-24-,38-23-,39-24-,42-40+,42-41+
InChIKey MLMNPGXFEILWCB-RFJSBULTSA-N
Molecular Weight 626.889 g/mol
SMILES [nH]1c2cc3nc(cc4[nH]c(c(c5nc(cc1c(c2CC)CC)c(c5CC)CC)Oc1ccccc1)c(c4CC)CC)c(c3CC)CC
SPLASH splash10-004i-0000009000-42101b202d28ce8e3f4d
Source of Spectrum K1-2001-1748-46
Synonyms 4,5,9,10,14,15,19,20-octaethyl-12-phenoxy-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 4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl phenyl ether
Wiley ID 846379