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N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]propanamide

View entire compound with spectra: 2 NMR

N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]propanamide
SpectraBase Compound ID lHrPlSCUTc
InChI InChI=1S/C20H21N3O3/c1-4-18(24)21-12-14-11-13(9-10-17(14)26-3)19-15-7-5-6-8-16(15)20(25)23(2)22-19/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKey LGOMVCPYUWYFIA-UHFFFAOYSA-N
Mol Weight 351.41 g/mol
Molecular Formula C20H21N3O3
Exact Mass 351.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCHZM755Yfx
Name N-[2-Methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]propanamide
Comments Computed using HOSE algorithm
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Exact Mass 351.158291545 u
Formula C20H21N3O3
InChI InChI=1S/C20H21N3O3/c1-4-18(24)21-12-14-11-13(9-10-17(14)26-3)19-15-7-5-6-8-16(15)20(25)23(2)22-19/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKey LGOMVCPYUWYFIA-UHFFFAOYSA-N
Molecular Weight 351.406 g/mol
SMILES N(C(=O)CC)CC=1C=C(C2=NN(C(=O)C3=C2C=CC=C3)C)C=CC1OC