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7-Nitro-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one
SpectraBase Compound ID 6oStGFw9Yc8
InChI InChI=1S/C20H14N2O4S/c1-12-6-8-13(9-7-12)27-14-10-16(22(24)25)19-18(11-14)26-17-5-3-2-4-15(17)21-20(19)23/h2-11H,1H3,(H,21,23)
InChIKey XGPRFUOBCRTFMW-UHFFFAOYSA-N
Mol Weight 378.4 g/mol
Molecular Formula C20H14N2O4S
Exact Mass 378.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKjPsPoJE63
Name 7-Nitro-9-(p-tolylsulfanyl)-5H-benzo[b][1,4]benzoxazepin-6-one
Alternate Name(s) 7-Nitro-9-(p-tolylthio)-5H-benzo[b][1,4]benzoxazepin-6-one 9-(4-Methylphenyl)sulfanyl-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one 9-[(4-methylphenyl)thio]-7-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N2O4S
InChI InChI=1S/C20H14N2O4S/c1-12-6-8-13(9-7-12)27-14-10-16(22(24)25)19-18(11-14)26-17-5-3-2-4-15(17)21-20(19)23/h2-11H,1H3,(H,21,23)
InChIKey XGPRFUOBCRTFMW-UHFFFAOYSA-N
Molecular Weight 378.402 g/mol
SMILES N1C(c2c(Oc3c1cccc3)cc(cc2N(=O)=O)Sc1ccc(cc1)C)=O
SPLASH splash10-004i-0209000000-99edcdafecf4907121c9
Source of Spectrum F-70-9375-3
Wiley ID 1597755