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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 GsSv8Q9MT0l
Name 8-ETHYL-3-(2-OXOETHYL)DEUTEROPORPHYRIN DIMETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 608.2989
SMILES [nH]1c2c(c(c1cc1nc(cc3c(c(c(cc4c(c(c(c2)n4)C)CC)[nH]3)C)CCC(OC)=O)c(c1C)CCC(OC)=O)C)CC=O
SPLASH splash10-0a4i-2000059000-f79490c08b4914c5c435
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany