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N-(3,4-dichlorophenyl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide

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N-(3,4-dichlorophenyl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
SpectraBase Compound ID L0BEeeTlukL
InChI InChI=1S/C18H14Cl2N2O3/c19-14-8-7-11(10-15(14)20)21-16(23)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,23)
InChIKey AQRDCIZTDXWTEE-UHFFFAOYSA-N
Mol Weight 377.23 g/mol
Molecular Formula C18H14Cl2N2O3
Exact Mass 376.038148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcrRiRl1P2c
Name N-(3,4-Dichlorophenyl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.038147716 u
Formula C18H14Cl2N2O3
InChI InChI=1S/C18H14Cl2N2O3/c19-14-8-7-11(10-15(14)20)21-16(23)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,23)
InChIKey AQRDCIZTDXWTEE-UHFFFAOYSA-N
Molecular Weight 377.227 g/mol
SMILES N(C(CCCN1C(C=2C=CC=CC2C1=O)=O)=O)C1=CC(Cl)=C(C=C1)Cl