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8-Ethyl-3-(2-oxoethyl)deuteroporphyrin, dimethyl ester
SpectraBase Compound ID DGNrnmqjeCi
InChI InChI=1S/C36H40N4O5/c1-8-23-19(2)29-17-32-26(13-14-41)22(5)28(38-32)15-27-20(3)24(9-11-35(42)44-6)33(39-27)18-34-25(10-12-36(43)45-7)21(4)30(40-34)16-31(23)37-29/h14-18,38,40H,8-13H2,1-7H3/b27-15-,28-15-,29-17-,30-16-,31-16-,32-17-,33-18-,34-18-
InChIKey ABTCTDHWUDQVLX-NHQPMOGISA-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 C3JLT0WbvZp
Name 8-Ethyl-3-(2-oxoethyl)deuteroporphyrin, dimethyl ester
Alternate Name(s) Methyl 3-[15-ethyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-10-(2-oxoethyl)-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 C36H40N4O5
InChI InChI=1S/C36H40N4O5/c1-8-23-19(2)29-17-32-26(13-14-41)22(5)28(38-32)15-27-20(3)24(9-11-35(42)44-6)33(39-27)18-34-25(10-12-36(43)45-7)21(4)30(40-34)16-31(23)37-29/h14-18,38,40H,8-13H2,1-7H3/b27-15-,28-15-,29-17-,30-16-,31-16-,32-17-,33-18-,34-18-
InChIKey ABTCTDHWUDQVLX-NHQPMOGISA-N
Molecular Weight 608.739 g/mol
SMILES [nH]1c2c(c(c1cc1c(c(c(cc3c(c(c(cc4nc(c2)c(c4CCC(=O)OC)C)[nH]3)CCC(=O)OC)C)n1)CC)C)CC=O)C
SPLASH splash10-0a4i-2000059000-fac425aab15f040c2c1b
Wiley ID 1477056