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Methyl 2-(1-oxo-3-phenylisoindolin-2-yl)-3-phenylpropanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 2-(1-oxo-3-phenylisoindolin-2-yl)-3-phenylpropanoate
SpectraBase Compound ID 1gkFGn95vEP
InChI InChI=1S/C24H21NO3/c1-28-24(27)21(16-17-10-4-2-5-11-17)25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(25)26/h2-15,21-22H,16H2,1H3
InChIKey KFKYMPPNFWLYNF-UHFFFAOYSA-N
Mol Weight 371.44 g/mol
Molecular Formula C24H21NO3
Exact Mass 371.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EORapBfN7ym
Name Methyl 2-(1-oxo-3-phenylisoindolin-2-yl)-3-phenylpropanoate
Comments Computed using HOSE algorithm
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Exact Mass 371.152143537 u
Formula C24H21NO3
InChI InChI=1S/C24H21NO3/c1-28-24(27)21(16-17-10-4-2-5-11-17)25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(25)26/h2-15,21-22H,16H2,1H3
InChIKey KFKYMPPNFWLYNF-UHFFFAOYSA-N
Molecular Weight 371.436 g/mol
SMILES C1(N(C(=O)C=2C=CC=CC12)C(C(=O)OC)CC1=CC=CC=C1)C=1C=CC=CC1