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(E)-2-Iodo-1-(phenylsulfonyl)-1,5-hexadiene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

(E)-2-Iodo-1-(phenylsulfonyl)-1,5-hexadiene
SpectraBase Compound ID JK66OBapWHe
InChI InChI=1S/C12H13IO2S/c1-2-3-7-11(13)10-16(14,15)12-8-5-4-6-9-12/h2,4-6,8-10H,1,3,7H2/b11-10+
InChIKey ZQAFIZPNPHASCJ-ZHACJKMWSA-N
Mol Weight 348.2 g/mol
Molecular Formula C12H13IO2S
Exact Mass 347.968096 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CPRwTP4KhwY
Name (E)-2-Iodo-1-(phenylsulfonyl)-1,5-hexadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.968095831 u
Formula C12H13IO2S
InChI InChI=1S/C12H13IO2S/c1-2-3-7-11(13)10-16(14,15)12-8-5-4-6-9-12/h2,4-6,8-10H,1,3,7H2/b11-10+
InChIKey ZQAFIZPNPHASCJ-ZHACJKMWSA-N
Molecular Weight 348.198 g/mol
SMILES C(\C(=C/S(=O)(=O)C1=CC=CC=C1)I)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875575