For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1H-isoindole-2-propanenitrile, 2,3-dihydro-1,3-dioxo-

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

1H-isoindole-2-propanenitrile, 2,3-dihydro-1,3-dioxo-
SpectraBase Compound ID BgMj4ZHm4pN
InChI InChI=1S/C11H8N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,7H2
InChIKey LOOWMCWVRNEZLZ-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9YYjCgIQCxK
Name 1H-Isoindole-2-propanenitrile, 2,3-dihydro-1,3-dioxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.058577504 u
Formula C11H8N2O2
InChI InChI=1S/C11H8N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,7H2
InChIKey LOOWMCWVRNEZLZ-UHFFFAOYSA-N
Molecular Weight 200.197 g/mol
SMILES C1=C2C(=CC=C1)C(=O)N(C2=O)CCC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943425