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2H-1-Benzopyran-2-one, 3-[[hexahydro-4-[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]-1H-1,4-diazepin-1-yl]carbonyl]-
SpectraBase Compound ID HdD3zIRI7vd
InChI InChI=1S/C25H20N2O6/c28-22(18-14-16-6-1-3-8-20(16)32-24(18)30)26-10-5-11-27(13-12-26)23(29)19-15-17-7-2-4-9-21(17)33-25(19)31/h1-4,6-9,14-15H,5,10-13H2
InChIKey HFLGYOOFGXUPKF-UHFFFAOYSA-N
Mol Weight 444.44 g/mol
Molecular Formula C25H20N2O6
Exact Mass 444.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ex685dfgzVg
Name 2H-1-Benzopyran-2-one, 3-[[hexahydro-4-[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]-1H-1,4-diazepin-1-yl]carbonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N2O6
InChI InChI=1S/C25H20N2O6/c28-22(18-14-16-6-1-3-8-20(16)32-24(18)30)26-10-5-11-27(13-12-26)23(29)19-15-17-7-2-4-9-21(17)33-25(19)31/h1-4,6-9,14-15H,5,10-13H2
InChIKey HFLGYOOFGXUPKF-UHFFFAOYSA-N
Molecular Weight 444.443 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(N1CCN(C(C=2C(Oc3c(C2)cccc3)=O)=O)CCC1)=O
SPLASH splash10-00di-8940000000-c835c8503a6d3d40eb42
Source of Spectrum IY-1-4621-8
Synonyms 3-[oxo-[4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one 3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one 3-[[4-(2-oxidanylidenechromen-3-yl)carbonyl-1,4-diazepan-1-yl]carbonyl]chromen-2-one
Wiley ID 1654201