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2-(2-Methanesulfonylethyl)isoindole-1,3-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(2-Methanesulfonylethyl)isoindole-1,3-dione
SpectraBase Compound ID I4vZum3pMS3
InChI InChI=1S/C11H11NO4S/c1-17(15,16)7-6-12-10(13)8-4-2-3-5-9(8)11(12)14/h2-5H,6-7H2,1H3
InChIKey GKIVYPUVRHBWOX-UHFFFAOYSA-N
Mol Weight 253.27 g/mol
Molecular Formula C11H11NO4S
Exact Mass 253.040879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ASmKakfHhF5
Name 2-(2-Methanesulfonylethyl)isoindole-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.040879008 u
Formula C11H11NO4S
InChI InChI=1S/C11H11NO4S/c1-17(15,16)7-6-12-10(13)8-4-2-3-5-9(8)11(12)14/h2-5H,6-7H2,1H3
InChIKey GKIVYPUVRHBWOX-UHFFFAOYSA-N
Molecular Weight 253.272 g/mol
SMILES CS(CCN1C(C2=CC=CC=C2C1=O)=O)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94543