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2-(3-oxo-1,3-Diphenylpropyl)-isoindol-1,3-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(3-oxo-1,3-Diphenylpropyl)-isoindol-1,3-dione
SpectraBase Compound ID HSzk0ZgYSVs
InChI InChI=1S/C23H17NO3/c25-21(17-11-5-2-6-12-17)15-20(16-9-3-1-4-10-16)24-22(26)18-13-7-8-14-19(18)23(24)27/h1-14,20H,15H2
InChIKey JMQLWPXZFNZBSG-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C23H17NO3
Exact Mass 355.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZCRyoDYLXH
Name 2-(3-oxo-1,3-Diphenylpropyl)-isoindol-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 355.120843408 u
Formula C23H17NO3
InChI InChI=1S/C23H17NO3/c25-21(17-11-5-2-6-12-17)15-20(16-9-3-1-4-10-16)24-22(26)18-13-7-8-14-19(18)23(24)27/h1-14,20H,15H2
InChIKey JMQLWPXZFNZBSG-UHFFFAOYSA-N
Molecular Weight 355.393 g/mol
SMILES C1=CC=C2C(=C1)C(N(C2=O)C(C1=CC=CC=C1)CC(=O)C1=CC=CC=C1)=O