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4-(4-chlorophenyl)-2-[3-oxo-3-(1-piperidinyl)propyl]-1(2H)-phthalazinone

View entire compound with spectra: 2 NMR

4-(4-chlorophenyl)-2-[3-oxo-3-(1-piperidinyl)propyl]-1(2H)-phthalazinone
SpectraBase Compound ID BcVJc0RLYvF
InChI InChI=1S/C22H22ClN3O2/c23-17-10-8-16(9-11-17)21-18-6-2-3-7-19(18)22(28)26(24-21)15-12-20(27)25-13-4-1-5-14-25/h2-3,6-11H,1,4-5,12-15H2
InChIKey PSBOVZKAYADPMS-UHFFFAOYSA-N
Mol Weight 395.89 g/mol
Molecular Formula C22H22ClN3O2
Exact Mass 395.140055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wUVPUgOrqC
Name 4-(4-Chlorophenyl)-2-[3-oxo-3-(1-piperidinyl)propyl]-1(2H)-phthalazinone
Comments Computed using HOSE algorithm
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Exact Mass 395.140054658 u
Formula C22H22ClN3O2
InChI InChI=1S/C22H22ClN3O2/c23-17-10-8-16(9-11-17)21-18-6-2-3-7-19(18)22(28)26(24-21)15-12-20(27)25-13-4-1-5-14-25/h2-3,6-11H,1,4-5,12-15H2
InChIKey PSBOVZKAYADPMS-UHFFFAOYSA-N
Molecular Weight 395.890 g/mol
SMILES C1CCN(C(CCN2N=C(C=3C(=CC=CC3)C2=O)C=2C=CC(=CC2)Cl)=O)CC1