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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sSWFt6KbEX
Name (E)-3-tosyl-2,5-hexadien-1-ol
Alternate Name(s) (2E)-3-[(4-methylphenyl)sulfonyl]-2,5-hexadien-1-ol
CAS Registry Number 118356-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC\C=C/(S(c1ccc(cc1)C)(=O)=O)CC=C
SPLASH splash10-00ko-9100000000-c1ff0a8d50a408c7dadf
Source of Spectrum J-54-1497-10
Wiley ID 1255317