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2,5-bis(5'-Methoxybenzopyran-4'-one-2'-carbamoyl)-3-hydroxy-1,6-diphenylhexane
SpectraBase Compound ID 2x9gMbG5Pvw
InChI InChI=1S/C40H36N2O9/c1-48-31-15-9-17-33-37(31)29(44)22-35(50-33)39(46)41-26(19-24-11-5-3-6-12-24)21-28(43)27(20-25-13-7-4-8-14-25)42-40(47)36-23-30(45)38-32(49-2)16-10-18-34(38)51-36/h3-18,22-23,26-28,43H,19-21H2,1-2H3,(H,41,46)(H,42,47)
InChIKey HBHNRAHOHBSXMX-UHFFFAOYSA-N
Mol Weight 688.7 g/mol
Molecular Formula C40H36N2O9
Exact Mass 688.242081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYlkZbJI3Ln
Name 2,5-bis(5'-Methoxybenzopyran-4'-one-2'-carbamoyl)-3-hydroxy-1,6-diphenylhexane
Comments Less than 3 mono-isotopic peaks
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Formula C40H36N2O9
InChI InChI=1S/C40H36N2O9/c1-48-31-15-9-17-33-37(31)29(44)22-35(50-33)39(46)41-26(19-24-11-5-3-6-12-24)21-28(43)27(20-25-13-7-4-8-14-25)42-40(47)36-23-30(45)38-32(49-2)16-10-18-34(38)51-36/h3-18,22-23,26-28,43H,19-21H2,1-2H3,(H,41,46)(H,42,47)
InChIKey HBHNRAHOHBSXMX-UHFFFAOYSA-N
Molecular Weight 688.733 g/mol
SMILES N(C(C1=CC(=O)c2c(O1)cccc2OC)=O)C(C(CC(NC(C1=CC(=O)c2c(O1)cccc2OC)=O)Cc1ccccc1)O)Cc1ccccc1
SPLASH splash10-004i-0009000000-2d607dc6fef5181dd849
Source of Spectrum G2-34-2585-2
Synonyms N-(1-benzyl-2-hydroxy-4-{[(5-methoxy-4-oxo-4H-chromen-2-yl)carbonyl]amino}-5-phenylpentyl)-5-methoxy-4-oxo-4H-chromene-2-carboxamide
Wiley ID 1582466