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(E)-(Hexa-2,5-dien-1-ylsulfonyl)benzene

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

(E)-(Hexa-2,5-dien-1-ylsulfonyl)benzene
SpectraBase Compound ID L8mwOW0hz2V
InChI InChI=1S/C12H14O2S/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h2,4-10H,1,3,11H2/b8-4+
InChIKey VQNJWXSCVSETCR-XBXARRHUSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9UetzpiRzfn
Name (E)-(Hexa-2,5-dien-1-ylsulfonyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.071450863 u
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h2,4-10H,1,3,11H2/b8-4+
InChIKey VQNJWXSCVSETCR-XBXARRHUSA-N
Molecular Weight 222.302 g/mol
SMILES C=1(C=CC=CC1)S(=O)(=O)C\C=C\CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955385