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2-[2-[(2-Benzoxyethylamino)-ethoxy-phosphoryl]ethyl]isoindoline-1,3-quinone
SpectraBase Compound ID KGPEMswFJ7P
InChI InChI=1S/C21H25N2O5P/c1-2-28-29(26,22-12-14-27-16-17-8-4-3-5-9-17)15-13-23-20(24)18-10-6-7-11-19(18)21(23)25/h3-11H,2,12-16H2,1H3,(H,22,26)
InChIKey GUHBCYZOZWCVCU-UHFFFAOYSA-N
Mol Weight 416.41 g/mol
Molecular Formula C21H25N2O5P
Exact Mass 416.150109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hwuVDMrVqs
Name 2-[2-[(2-Benzoxyethylamino)-ethoxy-phosphoryl]ethyl]isoindoline-1,3-quinone
Comments Computed using HOSE algorithm
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Exact Mass 416.150108906 u
Formula C21H25N2O5P
InChI InChI=1S/C21H25N2O5P/c1-2-28-29(26,22-12-14-27-16-17-8-4-3-5-9-17)15-13-23-20(24)18-10-6-7-11-19(18)21(23)25/h3-11H,2,12-16H2,1H3,(H,22,26)
InChIKey GUHBCYZOZWCVCU-UHFFFAOYSA-N
Molecular Weight 416.414 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)CCP(=O)(NCCOCC1=CC=CC=C1)OCC)=O