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2-(N-(1-phenyl-2-((p-methoxyphenyl)carbonyl)ethyl)amino)phenoxazin-3-one
SpectraBase Compound ID 4aKZpACNHGv
InChI InChI=1S/C28H22N2O4/c1-33-20-13-11-19(12-14-20)25(31)16-22(18-7-3-2-4-8-18)30-23-15-24-28(17-26(23)32)34-27-10-6-5-9-21(27)29-24/h2-15,17,22,30H,16H2,1H3
InChIKey LTPDIXFXMBHTLA-UHFFFAOYSA-N
Mol Weight 450.49 g/mol
Molecular Formula C28H22N2O4
Exact Mass 450.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyfGhfMmDtd
Name 2-(N-(1-Phenyl-2-((p-methoxyphenyl)carbonyl)ethyl)amino)phenoxazin-3-one
Comments Computed using HOSE algorithm
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Exact Mass 450.157957192 u
Formula C28H22N2O4
InChI InChI=1S/C28H22N2O4/c1-33-20-13-11-19(12-14-20)25(31)16-22(18-7-3-2-4-8-18)30-23-15-24-28(17-26(23)32)34-27-10-6-5-9-21(27)29-24/h2-15,17,22,30H,16H2,1H3
InChIKey LTPDIXFXMBHTLA-UHFFFAOYSA-N
Molecular Weight 450.494 g/mol
SMILES C=12C(=NC3=C(O2)C=CC=C3)C=C(C(C1)=O)NC(CC(C1=CC=C(C=C1)OC)=O)C=1C=CC=CC1