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4-(1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)butanamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-(1,3-dioxo-2-isoindolyl)-N-(phenylmethyl)butanamide
SpectraBase Compound ID 3GKnwqrm2pd
InChI InChI=1S/C19H18N2O3/c22-17(20-13-14-7-2-1-3-8-14)11-6-12-21-18(23)15-9-4-5-10-16(15)19(21)24/h1-5,7-10H,6,11-13H2,(H,20,22)
InChIKey WVVQENCVZJJVJL-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C19H18N2O3
Exact Mass 322.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjFY5Bb7g0v
Name 4-(1,3-Dioxo-2-isoindolyl)-N-(phenylmethyl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.131742445 u
Formula C19H18N2O3
InChI InChI=1S/C19H18N2O3/c22-17(20-13-14-7-2-1-3-8-14)11-6-12-21-18(23)15-9-4-5-10-16(15)19(21)24/h1-5,7-10H,6,11-13H2,(H,20,22)
InChIKey WVVQENCVZJJVJL-UHFFFAOYSA-N
Molecular Weight 322.364 g/mol
SMILES C(CCCN1C(C=2C=CC=CC2C1=O)=O)(=O)NCC=1C=CC=CC1