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3-(.alpha.-Iodocylopentyl)pyrrolidine-2,5-dione

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

3-(.alpha.-Iodocylopentyl)pyrrolidine-2,5-dione
SpectraBase Compound ID KafRfnClfaZ
InChI InChI=1S/C9H12INO2/c10-6-2-1-5(3-6)7-4-8(12)11-9(7)13/h5-7H,1-4H2,(H,11,12,13)/t5-,6-,7?/m0/s1
InChIKey XSZIBZXLTWEIAN-WABBHOIFSA-N
Mol Weight 293.1 g/mol
Molecular Formula C9H12INO2
Exact Mass 292.991274 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DT0UiXUrdlv
Name 3-(.alpha.-Iodocylopentyl)pyrrolidine-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.991273628 u
Formula C9H12INO2
InChI InChI=1S/C9H12INO2/c10-6-2-1-5(3-6)7-4-8(12)11-9(7)13/h5-7H,1-4H2,(H,11,12,13)/t5-,6-,7?/m0/s1
InChIKey XSZIBZXLTWEIAN-WABBHOIFSA-N
Molecular Weight 293.104 g/mol
SMILES C1(NC(=O)CC1[C@@]1(C[C@@](I)(CC1)[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961074