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7-Phenoxy-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one
SpectraBase Compound ID 3lwonnINVAF
InChI InChI=1S/C26H19NO3S/c1-17-11-13-19(14-12-17)31-20-15-23(29-18-7-3-2-4-8-18)25-24(16-20)30-22-10-6-5-9-21(22)27-26(25)28/h2-16H,1H3,(H,27,28)
InChIKey GJMZWSNFBWNOMV-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C26H19NO3S
Exact Mass 425.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfuCTHrhyGt
Name 7-Phenoxy-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one
Alternate Name(s) 7-Phenoxy-9-(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one 9-(4-Methylphenyl)sulfanyl-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one 9-[(4-methylphenyl)thio]-7-phenoxy-5H-benzo[b][1,4]benzoxazepin-6-one
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Formula C26H19NO3S
InChI InChI=1S/C26H19NO3S/c1-17-11-13-19(14-12-17)31-20-15-23(29-18-7-3-2-4-8-18)25-24(16-20)30-22-10-6-5-9-21(22)27-26(25)28/h2-16H,1H3,(H,27,28)
InChIKey GJMZWSNFBWNOMV-UHFFFAOYSA-N
Molecular Weight 425.502 g/mol
SMILES N1C(c2c(Oc3c1cccc3)cc(cc2Oc1ccccc1)Sc1ccc(cc1)C)=O
SPLASH splash10-004i-2655900000-33039d96c4d626fddaeb
Wiley ID 1462671