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5,15-Bis(3,5-dimethoxyphenyl)-10-hexyl-20-iodoporphyrin
SpectraBase Compound ID JTLZf1Drf3Y
InChI InChI=1S/C42H41IN4O4/c1-6-7-8-9-10-31-32-11-13-34(44-32)40(25-19-27(48-2)23-28(20-25)49-3)36-15-17-38(46-36)42(43)39-18-16-37(47-39)41(35-14-12-33(31)45-35)26-21-29(50-4)24-30(22-26)51-5/h11-24,44,47H,6-10H2,1-5H3/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38+,42-39+
InChIKey OGUBPLKMUNODDI-UYYQTWGNSA-N
Mol Weight 792.7 g/mol
Molecular Formula C42H41IN4O4
Exact Mass 792.217251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64ICOLYuLnY
Name 5,15-Bis(3,5-dimethoxyphenyl)-10-hexyl-20-iodoporphyrin
Alternate Name(s) 2,12-bis(3,5-dimethoxyphenyl)-17-hexyl-7-iodo-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
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Formula C42H41IN4O4
InChI InChI=1S/C42H41IN4O4/c1-6-7-8-9-10-31-32-11-13-34(44-32)40(25-19-27(48-2)23-28(20-25)49-3)36-15-17-38(46-36)42(43)39-18-16-37(47-39)41(35-14-12-33(31)45-35)26-21-29(50-4)24-30(22-26)51-5/h11-24,44,47H,6-10H2,1-5H3/b32-31-,33-31-,40-34-,40-36-,41-35-,41-37-,42-38+,42-39+
InChIKey OGUBPLKMUNODDI-UYYQTWGNSA-N
Molecular Weight 792.718 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)cc(c2)OC)cc4)CCCCCC)cc3)-c2cc(OC)cc(c2)OC)cc1)I
SPLASH splash10-014i-0001039100-ebb598de99484a4f4e58
Source of Spectrum KC-61-5559-79
Wiley ID 1629553