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Dimethyl 2-(1-oxophthalazin-2(1H)-yl)-3-(triphenylphosphoranylidene)succinate

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Dimethyl 2-(1-oxophthalazin-2(1H)-yl)-3-(triphenylphosphoranylidene)succinate
SpectraBase Compound ID 3HS8olEl9SN
InChI InChI=1S/C32H27N2O5P/c1-38-31(36)28(34-30(35)27-21-13-12-14-23(27)22-33-34)29(32(37)39-2)40(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-22,28H,1-2H3
InChIKey RJECSSNOJOCEAB-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C32H27N2O5P
Exact Mass 550.165759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zmmPAvvMdT
Name Dimethyl 2-(1-oxophthalazin-2(1H)-yl)-3-(triphenylphosphoranylidene)succinate
Comments Computed using HOSE algorithm
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Exact Mass 550.165758970 u
Formula C32H27N2O5P
InChI InChI=1S/C32H27N2O5P/c1-38-31(36)28(34-30(35)27-21-13-12-14-23(27)22-33-34)29(32(37)39-2)40(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-22,28H,1-2H3
InChIKey RJECSSNOJOCEAB-UHFFFAOYSA-N
Molecular Weight 550.551 g/mol
SMILES C(=O)(C(=P(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)C(C(=O)OC)N1N=CC2=C(C1=O)C=CC=C2)OC