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3-Iodo-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione

View entire compound with spectra: 1 FTIR

3-Iodo-5-isopropyl-2-methylcyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 5uy4ZFWeOAd
InChI InChI=1S/C10H11IO2/c1-5(2)7-4-8(12)6(3)9(11)10(7)13/h4-5H,1-3H3
InChIKey OVOHLWHQLLXPFD-UHFFFAOYSA-N
Mol Weight 290.1 g/mol
Molecular Formula C10H11IO2
Exact Mass 289.980375 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 29k6fIpQnq1
Name 3-Iodo-5-isopropyl-2-methylcyclohexa-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 289.980374592 u
Formula C10H11IO2
InChI InChI=1S/C10H11IO2/c1-5(2)7-4-8(12)6(3)9(11)10(7)13/h4-5H,1-3H3
InChIKey OVOHLWHQLLXPFD-UHFFFAOYSA-N
Molecular Weight 290.100 g/mol
SMILES C1(C(=C(C(C(=C1)C(C)C)=O)I)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938979