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N-(4-Bromo-phenyl)-4-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butyramide
SpectraBase Compound ID DGyE0KKZV4k
InChI InChI=1S/C22H17BrN2O3/c23-15-9-11-16(12-10-15)24-19(26)8-3-13-25-21(27)17-6-1-4-14-5-2-7-18(20(14)17)22(25)28/h1-2,4-7,9-12H,3,8,13H2,(H,24,26)
InChIKey XDEUDVYVNZWGIV-UHFFFAOYSA-N
Mol Weight 437.29 g/mol
Molecular Formula C22H17BrN2O3
Exact Mass 436.042255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7V8HRc5ay9o
Name N-(4-Bromo-phenyl)-4-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butyramide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.042255412 u
Formula C22H17BrN2O3
InChI InChI=1S/C22H17BrN2O3/c23-15-9-11-16(12-10-15)24-19(26)8-3-13-25-21(27)17-6-1-4-14-5-2-7-18(20(14)17)22(25)28/h1-2,4-7,9-12H,3,8,13H2,(H,24,26)
InChIKey XDEUDVYVNZWGIV-UHFFFAOYSA-N
Molecular Weight 437.293 g/mol
SMILES C1=CC2=C3C(=C1)C(N(CCCC(NC1=CC=C(C=C1)Br)=O)C(C3=CC=C2)=O)=O