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6-AMINO-2-METHYL-2,4-BIS-(3-NITROPHENYL)-2,3-DIHYDRO-1,5-BENZOXAZEPINE
SpectraBase Compound ID JTIn7rHSon3
InChI InChI=1S/C22H18N4O5/c1-22(15-6-3-8-17(12-15)26(29)30)13-19(14-5-2-7-16(11-14)25(27)28)24-21-18(23)9-4-10-20(21)31-22/h2-12H,13,23H2,1H3
InChIKey GJWWFIPKSKKQDH-UHFFFAOYSA-N
Mol Weight 418.41 g/mol
Molecular Formula C22H18N4O5
Exact Mass 418.12772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yiPST6p9Ib
Name 6-AMINO-2-METHYL-2,4-BIS-(3-NITROPHENYL)-2,3-DIHYDRO-1,5-BENZOXAZEPINE
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18N4O5
InChI InChI=1S/C22H18N4O5/c1-22(15-6-3-8-17(12-15)26(29)30)13-19(14-5-2-7-16(11-14)25(27)28)24-21-18(23)9-4-10-20(21)31-22/h2-12H,13,23H2,1H3
InChIKey GJWWFIPKSKKQDH-UHFFFAOYSA-N
Literature Reference Author C.G.NEOCHORITIS,C.A.TSOLERIDIS,J.STEPHANIDOU-STEPHANATOU,C.A .KONTOGIORGIS,D.J.HA
Literature Reference Citation J.MED.CHEM.,53,8409(2010)
Literature Reference DOI 10.1021/jm100739n
Molecular Weight 418.409 g/mol
Solvent CDCl3
Source File Reference UWMZ47638