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(5E)-5-[4-[2-[(5-benzoxy-2,2,4,6,7-pentamethyl-coumaran-3-yl)methyl-methyl-amino]ethoxy]benzylidene]thiazolidine-2,4-quinone
SpectraBase Compound ID 4SooiUxXGHb
InChI InChI=1S/C34H38N2O5S/c1-21-22(2)31-29(23(3)30(21)40-20-25-10-8-7-9-11-25)27(34(4,5)41-31)19-36(6)16-17-39-26-14-12-24(13-15-26)18-28-32(37)35-33(38)42-28/h7-15,18,27H,16-17,19-20H2,1-6H3,(H,35,37,38)/b28-18+
InChIKey DKTFEUJGLCUSHM-MTDXEUNCSA-N
Mol Weight 586.7 g/mol
Molecular Formula C34H38N2O5S
Exact Mass 586.250144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEx9XMqI1VJ
Name (5E)-5-[4-[2-[(5-benzoxy-2,2,4,6,7-pentamethyl-coumaran-3-yl)methyl-methyl-amino]ethoxy]benzylidene]thiazolidine-2,4-quinone
Alternate Name(s) (5E)-5-[[4-[2-[(5-benzyloxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl-methyl-amino]ethoxy]phenyl]methylene]thiazolidine-2,4-dione (5E)-5-[[4-[2-[methyl-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl)methyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (5E)-5-[[4-[2-[methyl-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-benzofuran-3-yl)methyl]amino]ethoxy]phenyl]methylidene]thiazolidine-2,4-dione
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Formula C34H38N2O5S
InChI InChI=1S/C34H38N2O5S/c1-21-22(2)31-29(23(3)30(21)40-20-25-10-8-7-9-11-25)27(34(4,5)41-31)19-36(6)16-17-39-26-14-12-24(13-15-26)18-28-32(37)35-33(38)42-28/h7-15,18,27H,16-17,19-20H2,1-6H3,(H,35,37,38)/b28-18+
InChIKey DKTFEUJGLCUSHM-MTDXEUNCSA-N
Molecular Weight 586.747 g/mol
SMILES N1C(\C(SC1=O)=C/c1ccc(cc1)OCCN(C)CC1C(Oc2c1c(c(c(c2C)C)OCc1ccccc1)C)(C)C)=O
SPLASH splash10-0006-9080200000-cecf740de2c6bc7fefc9
Source of Spectrum F2-42-1935-12
Wiley ID 1600118