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(2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanamide

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

(2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanamide
SpectraBase Compound ID DMd7eVnqZi3
InChI InChI=1S/C17H14N2O3/c18-15(20)14(10-11-6-2-1-3-7-11)19-16(21)12-8-4-5-9-13(12)17(19)22/h1-9,14H,10H2,(H2,18,20)/t14-/m0/s1
InChIKey QGLQAPPNLSDXHB-AWEZNQCLSA-N
Mol Weight 294.31 g/mol
Molecular Formula C17H14N2O3
Exact Mass 294.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GLJbQoAwsUX
Name (2S)-2-(1,3-Dioxo-2-isoindolyl)-3-phenylpropanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.100442316 u
Formula C17H14N2O3
InChI InChI=1S/C17H14N2O3/c18-15(20)14(10-11-6-2-1-3-7-11)19-16(21)12-8-4-5-9-13(12)17(19)22/h1-9,14H,10H2,(H2,18,20)/t14-/m0/s1
InChIKey QGLQAPPNLSDXHB-AWEZNQCLSA-N
Molecular Weight 294.310 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)[C@](C(=O)N)(CC1=CC=CC=C1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963065