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1,3,5,8-tetramethyl-4,6-diethyl-2-(.alpha.-hydroxyethyl)-7-[2-(methoxycarbonyl)ethyl]porphyrin
SpectraBase Compound ID G2G22zxtZLA
InChI InChI=1S/C34H40N4O3/c1-9-22-18(4)27-15-32-34(21(7)39)20(6)28(38-32)13-25-19(5)24(11-12-33(40)41-8)31(37-25)16-30-23(10-2)17(3)26(35-30)14-29(22)36-27/h13-16,21,35,38-39H,9-12H2,1-8H3/b25-13-,26-14-,27-15-,28-13-,29-14-,30-16-,31-16-,32-15-
InChIKey JLEVFVRBHKNDRJ-BUCGVPPUSA-N
Mol Weight 552.7 g/mol
Molecular Formula C34H40N4O3
Exact Mass 552.310041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9E1Q21GhYDr
Name 1,3,5,8-tetramethyl-4,6-diethyl-2-(.alpha.-hydroxyethyl)-7-[2-(methoxycarbonyl)ethyl]porphyrin
Alternate Name(s) Methyl 3-[15,20-diethyl-10-(1-hydroxyethyl)-5,9,14,19-tetramethyl-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-4-yl]propanoate
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Formula C34H40N4O3
InChI InChI=1S/C34H40N4O3/c1-9-22-18(4)27-15-32-34(21(7)39)20(6)28(38-32)13-25-19(5)24(11-12-33(40)41-8)31(37-25)16-30-23(10-2)17(3)26(35-30)14-29(22)36-27/h13-16,21,35,38-39H,9-12H2,1-8H3/b25-13-,26-14-,27-15-,28-13-,29-14-,30-16-,31-16-,32-15-
InChIKey JLEVFVRBHKNDRJ-BUCGVPPUSA-N
Molecular Weight 552.719 g/mol
SMILES [nH]1c2cc3nc(cc4c(C(O)C)c(c(cc5nc(cc1c(c2C)CC)c(c5C)CCC(=O)OC)[nH]4)C)c(c3CC)C
SPLASH splash10-001i-0000190000-cf3a2b20acfe0c977857
Source of Spectrum HC-11-1390-0
Wiley ID 1406007