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N-(2-chlorophenyl)-2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamide
SpectraBase Compound ID 9CqOfPJxFS3
InChI InChI=1S/C22H16ClN3O2/c23-18-12-6-7-13-19(18)24-20(27)14-26-22(28)17-11-5-4-10-16(17)21(25-26)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,27)
InChIKey OCTFFHBZTFAJDF-UHFFFAOYSA-N
Mol Weight 389.84 g/mol
Molecular Formula C22H16ClN3O2
Exact Mass 389.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSPln7KHTDW
Name N-(2-Chlorophenyl)-2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 389.093104465 u
Formula C22H16ClN3O2
InChI InChI=1S/C22H16ClN3O2/c23-18-12-6-7-13-19(18)24-20(27)14-26-22(28)17-11-5-4-10-16(17)21(25-26)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,27)
InChIKey OCTFFHBZTFAJDF-UHFFFAOYSA-N
Molecular Weight 389.842 g/mol
SMILES C(CN1C(C=2C=CC=CC2C(=N1)C=1C=CC=CC1)=O)(=O)NC=1C(=CC=CC1)Cl