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N-(2-benzoyl-5-chloro-1-benzofuran-3-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(2-benzoyl-5-chloro-1-benzofuran-3-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
SpectraBase Compound ID 2WrAlc2WKsO
InChI InChI=1S/C27H19ClN2O5/c28-17-12-13-21-20(15-17)23(25(35-21)24(32)16-7-2-1-3-8-16)29-22(31)11-6-14-30-26(33)18-9-4-5-10-19(18)27(30)34/h1-5,7-10,12-13,15H,6,11,14H2,(H,29,31)
InChIKey DSIRVHRQSDFNRE-UHFFFAOYSA-N
Mol Weight 486.91 g/mol
Molecular Formula C27H19ClN2O5
Exact Mass 486.098249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWPAfIHn4Kn
Name N-(2-Benzoyl-5-chloro-1-benzofuran-3-yl)-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 486.098249415 u
Formula C27H19ClN2O5
InChI InChI=1S/C27H19ClN2O5/c28-17-12-13-21-20(15-17)23(25(35-21)24(32)16-7-2-1-3-8-16)29-22(31)11-6-14-30-26(33)18-9-4-5-10-19(18)27(30)34/h1-5,7-10,12-13,15H,6,11,14H2,(H,29,31)
InChIKey DSIRVHRQSDFNRE-UHFFFAOYSA-N
Molecular Weight 486.911 g/mol
SMILES C1(=C(C=2C=C(Cl)C=CC2O1)NC(=O)CCCN1C(C=2C=CC=CC2C1=O)=O)C(=O)C=1C=CC=CC1