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3-Ethyl-7-hydroxy-8-(2-oxoethylidene)-7,8-dihydrodeuteroporphyrin-ix, dimethyl ester
SpectraBase Compound ID 4PzRMGqnbi8
InChI InChI=1S/C36H40N4O6/c1-8-22-19(2)26-15-27-20(3)23(9-11-34(42)45-6)29(37-27)17-30-24(10-12-35(43)46-7)21(4)28(38-30)16-32-25(13-14-41)36(5,44)33(40-32)18-31(22)39-26/h13-18,38-39,44H,8-12H2,1-7H3/b25-13-,26-15-,27-15-,28-16-,29-17-,30-17-,31-18-,32-16-,33-18-
InChIKey KZSZFXWEUVCARJ-VVXKPJGWSA-N
Mol Weight 624.7 g/mol
Molecular Formula C36H40N4O6
Exact Mass 624.294785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8wn2RVOiV8
Name 3-ETHYL-7-HYDROXY-8-(2-OXOETHYLIDENE)-7,8-DIHYDRODEUTEROPORPHYRIN-IX-DIMETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H40N4O6
InChI InChI=1S/C36H40N4O6/c1-8-22-19(2)26-15-27-20(3)23(9-11-34(42)45-6)29(37-27)17-30-24(10-12-35(43)46-7)21(4)28(38-30)16-32-25(13-14-41)36(5,44)33(40-32)18-31(22)39-26/h13-18,38-39,44H,8-12H2,1-7H3/b25-13-,26-15-,27-15-,28-16-,29-17-,30-17-,31-18-,32-16-,33-18-
InChIKey KZSZFXWEUVCARJ-VVXKPJGWSA-N
Molecular Weight 624.2938
SMILES [nH]1c2c(c(c1cc1nc(cc3c(c(c(cc4\C(C(c(c2)n4)(O)C)=C/C=O)[nH]3)C)CCC(OC)=O)c(c1C)CCC(OC)=O)C)CC
SPLASH splash10-00ai-2230296000-59e5bcca4c3d2c43e334
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany