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tert-butyl 4-[2-(3,7-dimethylocta-2,6-dienyl)-1,3-dithian-2-yl]-2-hydroxy-butanoate
SpectraBase Compound ID HC0CTPDrQZt
InChI InChI=1S/C22H38O3S2/c1-17(2)9-7-10-18(3)11-13-22(26-15-8-16-27-22)14-12-19(23)20(24)25-21(4,5)6/h9,11,19,23H,7-8,10,12-16H2,1-6H3
InChIKey XRRBNYCJFIESCI-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C22H38O3S2
Exact Mass 414.226237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxUAu7Hd6y1
Name tert-butyl 4-[2-(3,7-dimethylocta-2,6-dienyl)-1,3-dithian-2-yl]-2-hydroxy-butanoate
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Formula C22H38O3S2
InChI InChI=1S/C22H38O3S2/c1-17(2)9-7-10-18(3)11-13-22(26-15-8-16-27-22)14-12-19(23)20(24)25-21(4,5)6/h9,11,19,23H,7-8,10,12-16H2,1-6H3
InChIKey XRRBNYCJFIESCI-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 414.663 g/mol
Reported Formula C22H38O3S2
SMILES OC(CCC1(CC=C(CCC=C(C)C)C)SCCCS1)C(OC(C)(C)C)=O
SPLASH splash10-00di-0490000000-269a6bcf234acb0d8158
Source of Spectrum US8299067B2
Thin-Layer Chromatography Rf = 0.31 (silica gel, hexanes/EtOAc, 4:1)
Wiley ID 1846873