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2,6-dimethylphenyl 1-octanesulfonate
SpectraBase Compound ID 9EuwWAVZPBs
InChI InChI=1S/C16H26O3S/c1-4-5-6-7-8-9-13-20(17,18)19-16-14(2)11-10-12-15(16)3/h10-12H,4-9,13H2,1-3H3
InChIKey GECCEQXCTAKYPD-UHFFFAOYSA-N
Mol Weight 298.44 g/mol
Molecular Formula C16H26O3S
Exact Mass 298.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T81DtUkx2W
Name 2,6-dimethylphenyl 1-octanesulfonate
Appearance Pale yellow oil
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Exact Mass 298.160265868 u
Formula C16H26O3S
InChI InChI=1S/C16H26O3S/c1-4-5-6-7-8-9-13-20(17,18)19-16-14(2)11-10-12-15(16)3/h10-12H,4-9,13H2,1-3H3
InChIKey GECCEQXCTAKYPD-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 298.441 g/mol
Quality 59
SMILES C1(OS(=O)(=O)CCCCCCCC)=C(C=CC=C1C)C
SPLASH splash10-00di-0910000000-d50b07a56cd893b47721
Source of Spectrum K1-2018-SM12-3k (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894023