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3-[(4-methylphenyl)sulfanyl]dibenzo[b,f][1,4]oxazepin-11(10H)-one
SpectraBase Compound ID 9V0gV0A0LFg
InChI InChI=1S/C20H15NO2S/c1-13-6-8-14(9-7-13)24-15-10-11-16-19(12-15)23-18-5-3-2-4-17(18)21-20(16)22/h2-12H,1H3,(H,21,22)
InChIKey MFZOKOKGBKZBPP-UHFFFAOYSA-N
Mol Weight 333.41 g/mol
Molecular Formula C20H15NO2S
Exact Mass 333.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Mtly8W70Mx
Name 3-[(4-methylphenyl)sulfanyl]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Alternate Name(s) 9-(4-Methylphenyl)sulfanyl-5H-benzo[b][1,4]benzoxazepin-6-one 9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one 9-(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one 9-[(4-methylphenyl)thio]-5H-benzo[b][1,4]benzoxazepin-6-one
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Formula C20H15NO2S
InChI InChI=1S/C20H15NO2S/c1-13-6-8-14(9-7-13)24-15-10-11-16-19(12-15)23-18-5-3-2-4-17(18)21-20(16)22/h2-12H,1H3,(H,21,22)
InChIKey MFZOKOKGBKZBPP-UHFFFAOYSA-N
Molecular Weight 333.405 g/mol
SMILES N1c2c(Oc3c(C1=O)ccc(c3)Sc1ccc(cc1)C)cccc2
SPLASH splash10-001i-0229000000-3f823a36976f4b143dbb
Wiley ID 1511905