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Diethylamino, N-benzoyl-2,2'-di-[isoindole-1,3-dione-2-yl]-
SpectraBase Compound ID IP0PCzgdcO1
InChI InChI=1S/C27H21N3O5/c31-23(18-8-2-1-3-9-18)28(14-16-29-24(32)19-10-4-5-11-20(19)25(29)33)15-17-30-26(34)21-12-6-7-13-22(21)27(30)35/h1-13H,14-17H2
InChIKey COHNPUKWYITJSV-UHFFFAOYSA-N
Mol Weight 467.48 g/mol
Molecular Formula C27H21N3O5
Exact Mass 467.148121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VQRvBg64EM
Name Diethylamino, N-benzoyl-2,2'-di-[isoindole-1,3-dione-2-yl]-
Comments Computed using HOSE algorithm
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Exact Mass 467.148120783 u
Formula C27H21N3O5
InChI InChI=1S/C27H21N3O5/c31-23(18-8-2-1-3-9-18)28(14-16-29-24(32)19-10-4-5-11-20(19)25(29)33)15-17-30-26(34)21-12-6-7-13-22(21)27(30)35/h1-13H,14-17H2
InChIKey COHNPUKWYITJSV-UHFFFAOYSA-N
Molecular Weight 467.481 g/mol
SMILES C1=CC=CC(=C1)C(=O)N(CCN1C(C2=C(C=CC=C2)C1=O)=O)CCN1C(C2=C(C=CC=C2)C1=O)=O