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butyl(3,4,5-trimethoxyphenyl)sulfane
SpectraBase Compound ID KftnWx0KWyN
InChI InChI=1S/C13H20O3S/c1-5-6-7-17-10-8-11(14-2)13(16-4)12(9-10)15-3/h8-9H,5-7H2,1-4H3
InChIKey FXEOWOGKZHADFU-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kdcad2RABqH
Name butyl(3,4,5-trimethoxyphenyl)sulfane
Appearance Colourless liquid
Carrier Gas Nitrogen
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Exact Mass 256.113315675 u
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-5-6-7-17-10-8-11(14-2)13(16-4)12(9-10)15-3/h8-9H,5-7H2,1-4H3
InChIKey FXEOWOGKZHADFU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709553
Molecular Weight 256.360 g/mol
Quality 218
Reported Formula C13H20O3S
SMILES C(CCC)SC1=CC(=C(C(=C1)OC)OC)OC
SPLASH splash10-052o-0490000000-df0ab2d37b4c0ea69a10
Source of Spectrum ACI-56-SM26-10m (DOI: 10.1002/anie.201709553)
Thin-Layer Chromatography 0.40 (SiO2, i-hexane/EtOAc, 9:1)
Wiley ID 1896737