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

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

(E)-2-methyl-3-tosyl-2,5-hexadien-1-ol
SpectraBase Compound ID 3KANKsLixty
InChI InChI=1S/C14H18O3S/c1-4-5-14(12(3)10-15)18(16,17)13-8-6-11(2)7-9-13/h4,6-9,15H,1,5,10H2,2-3H3/b14-12+
InChIKey UTDDTXOHMIIETI-WYMLVPIESA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7traIGGWhrY
Name (E)-2-Methyl-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 266.097665611 u
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-4-5-14(12(3)10-15)18(16,17)13-8-6-11(2)7-9-13/h4,6-9,15H,1,5,10H2,2-3H3/b14-12+
InChIKey UTDDTXOHMIIETI-WYMLVPIESA-N
Molecular Weight 266.355 g/mol
SMILES C(\C(=C/(S(C=1C=CC(=CC1)C)(=O)=O)CC=C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96165