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Benzonitrile, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-

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

Benzonitrile, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
SpectraBase Compound ID Cot96SMefKU
InChI InChI=1S/C15H8N2O2/c16-9-10-5-7-11(8-6-10)17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H
InChIKey HJEZSJZFLRHLAP-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C15H8N2O2
Exact Mass 248.058578 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EBYFm17Oatm
Name Benzonitrile, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.058577504 u
Formula C15H8N2O2
InChI InChI=1S/C15H8N2O2/c16-9-10-5-7-11(8-6-10)17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H
InChIKey HJEZSJZFLRHLAP-UHFFFAOYSA-N
Molecular Weight 248.241 g/mol
SMILES C(#N)C1=CC=C(N2C(C3=CC=CC=C3C2=O)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918493