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2-(1,3-Dioxo-2-isoindolyl)propanenitrile

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

2-(1,3-Dioxo-2-isoindolyl)propanenitrile
SpectraBase Compound ID qI5Cwhyifs
InChI InChI=1S/C11H8N2O2/c1-7(6-12)13-10(14)8-4-2-3-5-9(8)11(13)15/h2-5,7H,1H3
InChIKey CCMYZTUSYFAWOI-UHFFFAOYSA-N
Mol Weight 200.2 g/mol
Molecular Formula C11H8N2O2
Exact Mass 200.058578 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G5SftlhVerB
Name 2-(1,3-Dioxo-2-isoindolyl)propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.058577504 u
Formula C11H8N2O2
InChI InChI=1S/C11H8N2O2/c1-7(6-12)13-10(14)8-4-2-3-5-9(8)11(13)15/h2-5,7H,1H3
InChIKey CCMYZTUSYFAWOI-UHFFFAOYSA-N
Molecular Weight 200.197 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)C(C#N)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964919