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2-(2-Imidazol-1-ylethyl)-4-(3-pyridyl)phthalazin-1-one

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

2-(2-Imidazol-1-ylethyl)-4-(3-pyridyl)phthalazin-1-one
SpectraBase Compound ID D8R7SyZIw9O
InChI InChI=1S/C18H15N5O/c24-18-16-6-2-1-5-15(16)17(14-4-3-7-19-12-14)21-23(18)11-10-22-9-8-20-13-22/h1-9,12-13H,10-11H2
InChIKey FYSGNCKTVYFUHA-UHFFFAOYSA-N
Mol Weight 317.35 g/mol
Molecular Formula C18H15N5O
Exact Mass 317.12766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APQtjRrP6EP
Name 2-(2-Imidazol-1-ylethyl)-4-(3-pyridyl)phthalazin-1-one
Comments Computed using HOSE algorithm
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Exact Mass 317.127660122 u
Formula C18H15N5O
InChI InChI=1S/C18H15N5O/c24-18-16-6-2-1-5-15(16)17(14-4-3-7-19-12-14)21-23(18)11-10-22-9-8-20-13-22/h1-9,12-13H,10-11H2
InChIKey FYSGNCKTVYFUHA-UHFFFAOYSA-N
Molecular Weight 317.352 g/mol
SMILES C1(N(N=C(C=2C=CC=CC12)C=1C=NC=CC1)CCN1C=NC=C1)=O