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(E)-3-tosyl-2,5-hexadien-1-ol

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

(E)-3-tosyl-2,5-hexadien-1-ol
SpectraBase Compound ID 7xLc4OgayPH
InChI InChI=1S/C13H16O3S/c1-3-4-12(9-10-14)17(15,16)13-7-5-11(2)6-8-13/h3,5-9,14H,1,4,10H2,2H3/b12-9+
InChIKey HWUUKMGBRWVNNF-FMIVXFBMSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HQcozBpIm3D
Name (E)-3-Tosyl-2,5-hexadien-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.082015546 u
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-3-4-12(9-10-14)17(15,16)13-7-5-11(2)6-8-13/h3,5-9,14H,1,4,10H2,2H3/b12-9+
InChIKey HWUUKMGBRWVNNF-FMIVXFBMSA-N
Molecular Weight 252.328 g/mol
SMILES C(\C=C/(S(C=1C=CC(=CC1)C)(=O)=O)CC=C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943179