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1-(4-Methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
SpectraBase Compound ID JpqxiuW5EMi
InChI InChI=1S/C20H14N2O5/c1-12-6-8-14(9-7-12)26-17-10-13(22(24)25)11-18-19(17)20(23)21-15-4-2-3-5-16(15)27-18/h2-11H,1H3,(H,21,23)
InChIKey CAQJPLZDSDJUFN-UHFFFAOYSA-N
Mol Weight 362.34 g/mol
Molecular Formula C20H14N2O5
Exact Mass 362.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B03kG9fW7xg
Name 1-(4-Methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Alternate Name(s) 7-(4-Methylphenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N2O5
InChI InChI=1S/C20H14N2O5/c1-12-6-8-14(9-7-12)26-17-10-13(22(24)25)11-18-19(17)20(23)21-15-4-2-3-5-16(15)27-18/h2-11H,1H3,(H,21,23)
InChIKey CAQJPLZDSDJUFN-UHFFFAOYSA-N
Molecular Weight 362.341 g/mol
SMILES N1c2c(Oc3c(C1=O)c(cc(c3)N(=O)=O)Oc1ccc(cc1)C)cccc2
SPLASH splash10-03xr-4898000000-749c91cfff099a750413
Wiley ID 1450923