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2-[(Phenylsulfonyl)amino]ethyl]-4-(3-pyridyl)-1(2H)-phthalazinone

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

2-[(Phenylsulfonyl)amino]ethyl]-4-(3-pyridyl)-1(2H)-phthalazinone
SpectraBase Compound ID ouPpl4PyZp
InChI InChI=1S/C21H18N4O3S/c26-21-19-11-5-4-10-18(19)20(16-7-6-12-22-15-16)24-25(21)14-13-23-29(27,28)17-8-2-1-3-9-17/h1-12,15,23H,13-14H2
InChIKey XXQNOKPUYCXFHU-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C21H18N4O3S
Exact Mass 406.109962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NEYrHyCOxr
Name 2-[(Phenylsulfonyl)amino]ethyl]-4-(3-pyridyl)-1(2H)-phthalazinone
Comments Computed using HOSE algorithm
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Exact Mass 406.109961627 u
Formula C21H18N4O3S
InChI InChI=1S/C21H18N4O3S/c26-21-19-11-5-4-10-18(19)20(16-7-6-12-22-15-16)24-25(21)14-13-23-29(27,28)17-8-2-1-3-9-17/h1-12,15,23H,13-14H2
InChIKey XXQNOKPUYCXFHU-UHFFFAOYSA-N
Molecular Weight 406.460 g/mol
SMILES C1(N(N=C(C=2C1=CC=CC2)C=1C=NC=CC1)CCNS(=O)(=O)C1=CC=CC=C1)=O