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1-(4-Iodanylbutylsulfonyl)-4-methyl-benzene

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1-(4-Iodanylbutylsulfonyl)-4-methyl-benzene
SpectraBase Compound ID 2KBj0n3sRxu
InChI InChI=1S/C11H15IO2S/c1-10-4-6-11(7-5-10)15(13,14)9-3-2-8-12/h4-7H,2-3,8-9H2,1H3
InChIKey LQFOZGKNOBYMGG-UHFFFAOYSA-N
Mol Weight 338.2 g/mol
Molecular Formula C11H15IO2S
Exact Mass 337.983746 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 838ENVOtGp4
Name 1-(4-Iodanylbutylsulfonyl)-4-methyl-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.983745895 u
Formula C11H15IO2S
InChI InChI=1S/C11H15IO2S/c1-10-4-6-11(7-5-10)15(13,14)9-3-2-8-12/h4-7H,2-3,8-9H2,1H3
InChIKey LQFOZGKNOBYMGG-UHFFFAOYSA-N
Molecular Weight 338.203 g/mol
SMILES C1(S(=O)(=O)CCCCI)=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800561