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Phthalimido-phthalimido propylmalonic ester
SpectraBase Compound ID JRl8FAcOPqK
InChI InChI=1S/C26H24N2O8/c1-3-35-24(33)26(25(34)36-4-2,28-22(31)18-12-7-8-13-19(18)23(28)32)14-9-15-27-20(29)16-10-5-6-11-17(16)21(27)30/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKey XLPCTNONUJFHBO-UHFFFAOYSA-N
Mol Weight 492.48 g/mol
Molecular Formula C26H24N2O8
Exact Mass 492.153266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0n74f5n5SE
Name Phthalimido-phthalimido propylmalonic ester
Comments Computed using HOSE algorithm
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Exact Mass 492.153265733 u
Formula C26H24N2O8
InChI InChI=1S/C26H24N2O8/c1-3-35-24(33)26(25(34)36-4-2,28-22(31)18-12-7-8-13-19(18)23(28)32)14-9-15-27-20(29)16-10-5-6-11-17(16)21(27)30/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKey XLPCTNONUJFHBO-UHFFFAOYSA-N
Molecular Weight 492.484 g/mol
SMILES C1=CC=C2C(=C1)C(N(C2=O)C(C(=O)OCC)(C(=O)OCC)CCCN1C(C2=C(C=CC=C2)C1=O)=O)=O