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

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N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]butanamide
SpectraBase Compound ID 1JgW9J3lcbR
InChI InChI=1S/C21H23N3O3/c1-4-7-19(25)22-13-15-12-14(10-11-18(15)27-3)20-16-8-5-6-9-17(16)21(26)24(2)23-20/h5-6,8-12H,4,7,13H2,1-3H3,(H,22,25)
InChIKey JQGGHKQIDUBNDP-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C21H23N3O3
Exact Mass 365.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMvgavEsGem
Name N-[2-Methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]butanamide
Comments Computed using HOSE algorithm
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Exact Mass 365.173941610 u
Formula C21H23N3O3
InChI InChI=1S/C21H23N3O3/c1-4-7-19(25)22-13-15-12-14(10-11-18(15)27-3)20-16-8-5-6-9-17(16)21(26)24(2)23-20/h5-6,8-12H,4,7,13H2,1-3H3,(H,22,25)
InChIKey JQGGHKQIDUBNDP-UHFFFAOYSA-N
Molecular Weight 365.433 g/mol
SMILES N(C(=O)CCC)CC=1C=C(C2=NN(C(=O)C3=C2C=CC=C3)C)C=CC1OC