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1,3-bis[(4-methylphenyl)sulfanyl]dibenzo[b,f][1,4]oxazepin-11(10H)-one
SpectraBase Compound ID Hhl8ogVQyoo
InChI InChI=1S/C27H21NO2S2/c1-17-7-11-19(12-8-17)31-21-15-24-26(25(16-21)32-20-13-9-18(2)10-14-20)27(29)28-22-5-3-4-6-23(22)30-24/h3-16H,1-2H3,(H,28,29)
InChIKey JKGQIUAMDMMESA-UHFFFAOYSA-N
Mol Weight 455.59 g/mol
Molecular Formula C27H21NO2S2
Exact Mass 455.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQTYWd7KbCg
Name 1,3-bis[(4-methylphenyl)sulfanyl]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Alternate Name(s) 7,9-bis(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one 7,9-bis(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one 7,9-bis[(4-methylphenyl)sulfanyl]-5H-benzo[b][1,4]benzoxazepin-6-one 7,9-bis[(4-methylphenyl)thio]-5H-benzo[b][1,4]benzoxazepin-6-one
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Formula C27H21NO2S2
InChI InChI=1S/C27H21NO2S2/c1-17-7-11-19(12-8-17)31-21-15-24-26(25(16-21)32-20-13-9-18(2)10-14-20)27(29)28-22-5-3-4-6-23(22)30-24/h3-16H,1-2H3,(H,28,29)
InChIKey JKGQIUAMDMMESA-UHFFFAOYSA-N
Molecular Weight 455.590 g/mol
SMILES N1C(c2c(Oc3c1cccc3)cc(cc2Sc1ccc(cc1)C)Sc1ccc(cc1)C)=O
SPLASH splash10-0a4i-6954500000-462cc7a425e24b4f8212
Wiley ID 1462672