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N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-2-(3-methylphenoxy)acetamide
SpectraBase Compound ID I88fhOB5jMM
InChI InChI=1S/C26H25N3O4/c1-17-7-6-8-20(13-17)33-16-24(30)27-15-19-14-18(11-12-23(19)32-3)25-21-9-4-5-10-22(21)26(31)29(2)28-25/h4-14H,15-16H2,1-3H3,(H,27,30)
InChIKey RITJUMIPQNBYEV-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C26H25N3O4
Exact Mass 443.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1qUnmSZ7bs
Name N-[2-Methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-2-(3-methylphenoxy)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.184506293 u
Formula C26H25N3O4
InChI InChI=1S/C26H25N3O4/c1-17-7-6-8-20(13-17)33-16-24(30)27-15-19-14-18(11-12-23(19)32-3)25-21-9-4-5-10-22(21)26(31)29(2)28-25/h4-14H,15-16H2,1-3H3,(H,27,30)
InChIKey RITJUMIPQNBYEV-UHFFFAOYSA-N
Molecular Weight 443.503 g/mol
SMILES N(C(=O)COC1=CC(C)=CC=C1)CC=1C=C(C2=NN(C(=O)C3=C2C=CC=C3)C)C=CC1OC