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N-{4-[2-(methylamino)-2-oxoethoxy]phenyl}-3-(4-(4-methylphenyl)-1-oxo-2(1H)-phthalazinyl)propanamide
SpectraBase Compound ID AvtXNeTxUud
InChI InChI=1S/C27H26N4O4/c1-18-7-9-19(10-8-18)26-22-5-3-4-6-23(22)27(34)31(30-26)16-15-24(32)29-20-11-13-21(14-12-20)35-17-25(33)28-2/h3-14H,15-17H2,1-2H3,(H,28,33)(H,29,32)
InChIKey UYBFNIPGSBACNM-UHFFFAOYSA-N
Mol Weight 470.53 g/mol
Molecular Formula C27H26N4O4
Exact Mass 470.195405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHjAMpydHo3
Name N-{4-[2-(Methylamino)-2-oxoethoxy]phenyl}-3-(4-(4-methylphenyl)-1-oxo-2(1H)-phthalazinyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.195405329 u
Formula C27H26N4O4
InChI InChI=1S/C27H26N4O4/c1-18-7-9-19(10-8-18)26-22-5-3-4-6-23(22)27(34)31(30-26)16-15-24(32)29-20-11-13-21(14-12-20)35-17-25(33)28-2/h3-14H,15-17H2,1-2H3,(H,28,33)(H,29,32)
InChIKey UYBFNIPGSBACNM-UHFFFAOYSA-N
Molecular Weight 470.529 g/mol
SMILES N(C(CCN1N=C(C=2C(=CC=CC2)C1=O)C=1C=CC(=CC1)C)=O)C=1C=CC(OCC(=O)NC)=CC1