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2-Morpholino-4-(3-nitrophenylamino)-6-[N'-(4-

View entire compound with spectra: 2 NMR, and 2 MS (GC)

2-Morpholino-4-(3-nitrophenylamino)-6-[N'-(4-
SpectraBase Compound ID 876KwYHw96b
InChI InChI=1S/C21H22N8O4/c1-32-18-7-5-15(6-8-18)14-22-27-20-24-19(23-16-3-2-4-17(13-16)29(30)31)25-21(26-20)28-9-11-33-12-10-28/h2-8,13-14H,9-12H2,1H3,(H2,23,24,25,26,27)/b22-14+
InChIKey YLPPIYKYIZZPSK-HYARGMPZSA-N
Mol Weight 450.46 g/mol
Molecular Formula C21H22N8O4
Exact Mass 450.176401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FwNlDwk0vr
Name 2-Morpholino-4-(3-nitrophenylamino)-6-[N'-(4-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.176401216 u
Formula C21H22N8O4
InChI InChI=1S/C21H22N8O4/c1-32-18-7-5-15(6-8-18)14-22-27-20-24-19(23-16-3-2-4-17(13-16)29(30)31)25-21(26-20)28-9-11-33-12-10-28/h2-8,13-14H,9-12H2,1H3,(H2,23,24,25,26,27)/b22-14+
InChIKey YLPPIYKYIZZPSK-HYARGMPZSA-N
Molecular Weight 450.459 g/mol
SMILES N(c1nc(nc(n1)N1CCOCC1)N\N=C\c1ccc(cc1)OC)c1cc(ccc1)N(=O)=O