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2H-Isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-

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

2H-Isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-
SpectraBase Compound ID JoFvm0YVK8C
InChI InChI=1S/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2
InChIKey KJTIDLYAIIARFO-UHFFFAOYSA-N
Mol Weight 186.17 g/mol
Molecular Formula C10H6N2O2
Exact Mass 186.042927 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFhJlGK8C3
Name 2H-Isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.042927439 u
Formula C10H6N2O2
InChI InChI=1S/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2
InChIKey KJTIDLYAIIARFO-UHFFFAOYSA-N
Molecular Weight 186.170 g/mol
SMILES C1=CC=C2C(=C1)C(N(C2=O)CC#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942984