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N-(5-Chloro-1-methylene-3-oxoisoindolin-2-yl)acetamide

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

N-(5-Chloro-1-methylene-3-oxoisoindolin-2-yl)acetamide
SpectraBase Compound ID HUCuOGnCVX8
InChI InChI=1S/C11H9ClN2O2/c1-6-9-4-3-8(12)5-10(9)11(16)14(6)13-7(2)15/h3-5H,1H2,2H3,(H,13,15)
InChIKey AUTZQVRXMDKKJW-UHFFFAOYSA-N
Mol Weight 236.66 g/mol
Molecular Formula C11H9ClN2O2
Exact Mass 236.035255 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I1l1TvUQP3U
Name N-(5-Chloro-1-methylene-3-oxoisoindolin-2-yl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.035255236 u
Formula C11H9ClN2O2
InChI InChI=1S/C11H9ClN2O2/c1-6-9-4-3-8(12)5-10(9)11(16)14(6)13-7(2)15/h3-5H,1H2,2H3,(H,13,15)
InChIKey AUTZQVRXMDKKJW-UHFFFAOYSA-N
Molecular Weight 236.658 g/mol
SMILES C(C)(=O)NN1C(C=2C=CC(=CC2C1=O)Cl)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867398