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Methyl (2S,5R,6R)-5,6-Dimethoxy-5,6-dimethyl-2-[3-(phenylsulfanyl)propyl][1,4]dioxane-2-carboxylate
SpectraBase Compound ID 15TNl1eEatb
InChI InChI=1S/C19H28O6S/c1-17(22-4)18(2,23-5)25-19(14-24-17,16(20)21-3)12-9-13-26-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3/t17-,18-,19+/m1/s1
InChIKey XPLXASBJVHBPMI-QRVBRYPASA-N
Mol Weight 384.49 g/mol
Molecular Formula C19H28O6S
Exact Mass 384.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnOGDGgsaMF
Name Methyl (2S,5R,6R)-5,6-Dimethoxy-5,6-dimethyl-2-[3-(phenylsulfanyl)propyl][1,4]dioxane-2-carboxylate
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Formula C19H28O6S
InChI InChI=1S/C19H28O6S/c1-17(22-4)18(2,23-5)25-19(14-24-17,16(20)21-3)12-9-13-26-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3/t17-,18-,19+/m1/s1
InChIKey XPLXASBJVHBPMI-QRVBRYPASA-N
Molecular Weight 384.487 g/mol
SMILES [C@]1(O[C@](OC)(C)[C@@](OC1)(OC)C)(C(=O)OC)CCCSc1ccccc1
SPLASH splash10-0udi-0209000000-382a6f89e870235d8f53
Source of Spectrum F4-42-1455-3
Wiley ID 1676370