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3-Chloranyl-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
SpectraBase Compound ID 8QSS5GgwnM3
InChI InChI=1S/C20H13ClN2O6/c1-27-13-3-5-14(6-4-13)28-17-9-12(23(25)26)10-18-19(17)20(24)22-15-8-11(21)2-7-16(15)29-18/h2-10H,1H3,(H,22,24)
InChIKey WGCZASGDUNETGQ-UHFFFAOYSA-N
Mol Weight 412.79 g/mol
Molecular Formula C20H13ClN2O6
Exact Mass 412.046214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Tq1hZPM3Ze
Name 3-Chloranyl-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Alternate Name(s) 3-Chloro-7-(4-methoxyphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one 8-Chloro-1-(4-methoxyphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
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Formula C20H13ClN2O6
InChI InChI=1S/C20H13ClN2O6/c1-27-13-3-5-14(6-4-13)28-17-9-12(23(25)26)10-18-19(17)20(24)22-15-8-11(21)2-7-16(15)29-18/h2-10H,1H3,(H,22,24)
InChIKey WGCZASGDUNETGQ-UHFFFAOYSA-N
Molecular Weight 412.785 g/mol
SMILES N1c2c(Oc3c(C1=O)c(cc(c3)N(=O)=O)Oc1ccc(cc1)OC)ccc(c2)Cl
SPLASH splash10-0006-9410000000-ce917a469ad3cd16e50c
Wiley ID 1452221