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Dimethyl 3,3'-[8"-(1'"-hydroxybut-3'"-en-1'"-yl)-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate
SpectraBase Compound ID 97WuqCQw1Z4
InChI InChI=1S/C36H40N4O5/c1-8-9-33(41)36-22(5)27-15-23-14-19(2)26(37-23)16-28-20(3)24(10-12-34(42)44-6)30(38-28)18-31-25(11-13-35(43)45-7)21(4)29(39-31)17-32(36)40-27/h8,14-18,33,37,39,41H,1,9-13H2,2-7H3/b23-15-,26-16-,27-15-,28-16-,29-17-,30-18-,31-18-,32-17-/t33-/m0/s1
InChIKey ZUAXSCCTRNWWLF-WXCTUHCESA-N
Mol Weight 608.7 g/mol
Molecular Formula C36H40N4O5
Exact Mass 608.29987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2F8nh4m4DwP
Name Dimethyl 3,3'-[8"-(1'"-hydroxybut-3'"-en-1'"-yl)-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate
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Formula C36H40N4O5
InChI InChI=1S/C36H40N4O5/c1-8-9-33(41)36-22(5)27-15-23-14-19(2)26(37-23)16-28-20(3)24(10-12-34(42)44-6)30(38-28)18-31-25(11-13-35(43)45-7)21(4)29(39-31)17-32(36)40-27/h8,14-18,33,37,39,41H,1,9-13H2,2-7H3/b23-15-,26-16-,27-15-,28-16-,29-17-,30-18-,31-18-,32-17-/t33-/m0/s1
InChIKey ZUAXSCCTRNWWLF-WXCTUHCESA-N
Molecular Weight 608.739 g/mol
SMILES [nH]1c2cc3nc(c([C@@](O)(CC=C)[H])c3C)cc3c(c(c(cc4nc(cc1c(c2)C)c(c4CCC(=O)OC)C)[nH]3)CCC(=O)OC)C
SPLASH splash10-0006-0000091000-ef517c85d816fc3aa3e6
Source of Spectrum U-1995-1035-7
Synonyms Dimethyl 3,3'-[8''-(1'''-hydroxybut-3'''-en-1'''-yl)-2'',7'',12'',18''-tetramethyl-2'',3''-dihydro-21H.23H-porphyrin-13'',17''-diyl]-dipropionate
Wiley ID 767014