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4-Bromo-N-(1-(butylamino)-1,3-dioxo-3-phenylpropan-2-yl)-N-(2,6-dimethylphenyl)benzamide

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4-Bromo-N-(1-(butylamino)-1,3-dioxo-3-phenylpropan-2-yl)-N-(2,6-dimethylphenyl)benzamide
SpectraBase Compound ID LyLL0wIovCM
InChI InChI=1S/C28H29BrN2O3/c1-4-5-18-30-27(33)25(26(32)21-12-7-6-8-13-21)31(24-19(2)10-9-11-20(24)3)28(34)22-14-16-23(29)17-15-22/h6-17,25H,4-5,18H2,1-3H3,(H,30,33)
InChIKey IWPBWTQKFZWEAF-UHFFFAOYSA-N
Mol Weight 521.46 g/mol
Molecular Formula C28H29BrN2O3
Exact Mass 520.136156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nkuFD2w5Su
Name 4-Bromo-N-(1-(butylamino)-1,3-dioxo-3-phenylpropan-2-yl)-N-(2,6-dimethylphenyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.136155799 u
Formula C28H29BrN2O3
InChI InChI=1S/C28H29BrN2O3/c1-4-5-18-30-27(33)25(26(32)21-12-7-6-8-13-21)31(24-19(2)10-9-11-20(24)3)28(34)22-14-16-23(29)17-15-22/h6-17,25H,4-5,18H2,1-3H3,(H,30,33)
InChIKey IWPBWTQKFZWEAF-UHFFFAOYSA-N
Molecular Weight 521.455 g/mol
SMILES C(C1=CC=C(C=C1)Br)(=O)N(C1=C(C=CC=C1C)C)C(C(=O)NCCCC)C(C1=CC=CC=C1)=O