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2-Iodanyl-5-methyl-3-phenyl-cyclohexa-2,5-diene-1,4-dione

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

2-Iodanyl-5-methyl-3-phenyl-cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID FQcT5IBExrI
InChI InChI=1S/C13H9IO2/c1-8-7-10(15)12(14)11(13(8)16)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey QLWCSOBPYOBAES-UHFFFAOYSA-N
Mol Weight 324.12 g/mol
Molecular Formula C13H9IO2
Exact Mass 323.964725 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 63b28FcMoZ0
Name 2-Iodanyl-5-methyl-3-phenyl-cyclohexa-2,5-diene-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.964724528 u
Formula C13H9IO2
InChI InChI=1S/C13H9IO2/c1-8-7-10(15)12(14)11(13(8)16)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey QLWCSOBPYOBAES-UHFFFAOYSA-N
Molecular Weight 324.117 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)C)I)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903357