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2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-chlorophenyl)ethanamide
SpectraBase Compound ID KKjHsdLMHyH
InChI InChI=1S/C16H11ClN2O3/c17-12-7-3-4-8-13(12)18-14(20)9-19-15(21)10-5-1-2-6-11(10)16(19)22/h1-8H,9H2,(H,18,20)
InChIKey XVWQUPZLGTUXBN-UHFFFAOYSA-N
Mol Weight 314.73 g/mol
Molecular Formula C16H11ClN2O3
Exact Mass 314.04582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RLsbT8e8D6
Name 2-[1,3-bis(Oxidanylidene)isoindol-2-yl]-N-(2-chlorophenyl)ethanamide
Comments Computed using HOSE algorithm
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Exact Mass 314.045819919 u
Formula C16H11ClN2O3
InChI InChI=1S/C16H11ClN2O3/c17-12-7-3-4-8-13(12)18-14(20)9-19-15(21)10-5-1-2-6-11(10)16(19)22/h1-8H,9H2,(H,18,20)
InChIKey XVWQUPZLGTUXBN-UHFFFAOYSA-N
Molecular Weight 314.728 g/mol
SMILES C1=CC=C2C(=C1)C(N(CC(NC1=CC=CC=C1Cl)=O)C2=O)=O