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syn-(2R,3R)-2-Methyl-1-(4-(phenylsulfanyl)-3,4,5,6-tetrahydro-2H-pyran-4-yl)propane-1,3-diol
SpectraBase Compound ID GG5EqIS8Fla
InChI InChI=1S/C15H22O3S/c1-12(11-16)14(17)15(7-9-18-10-8-15)19-13-5-3-2-4-6-13/h2-6,12,14,16-17H,7-11H2,1H3/t12-,14+/m1/s1
InChIKey LBAJZGWVHMVCPR-OCCSQVGLSA-N
Mol Weight 282.4 g/mol
Molecular Formula C15H22O3S
Exact Mass 282.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3jYHz5cWv2
Name syn-(2R,3R)-2-Methyl-1-(4-(phenylsulfanyl)-3,4,5,6-tetrahydro-2H-pyran-4-yl)propane-1,3-diol
Alternate Name(s) (1S,2R)-2-methyl-1-(4-phenylsulfanyloxan-4-yl)propane-1,3-diol (2R)-2-methyl-1-[4-(phenylsulfanyl)tetrahydro-2H-pyran-4-yl]-1,3-propanediol syn-(1S,2R)-2-Methyl-1-(4-(phenylsulfanyl)-3,4,5,6-tetrahydro-2H-pyran-4-yl)propane-1,3-diol (1S,2R)-2-methyl-1-(4-phenylsulfanyltetrahydropyran-4-yl)propane-1,3-diol (1S,2R)-2-methyl-1-[4-(phenylthio)-4-oxanyl]propane-1,3-diol (1S,2R)-2-methyl-1-[4-(phenylthio)tetrahydropyran-4-yl]propane-1,3-diol
Comments Less than 3 mono-isotopic peaks
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Formula C15H22O3S
InChI InChI=1S/C15H22O3S/c1-12(11-16)14(17)15(7-9-18-10-8-15)19-13-5-3-2-4-6-13/h2-6,12,14,16-17H,7-11H2,1H3/t12-,14+/m1/s1
InChIKey LBAJZGWVHMVCPR-OCCSQVGLSA-N
Molecular Weight 282.398 g/mol
SMILES OC[C@]([C@@](C1(Sc2ccccc2)CCOCC1)(O)[H])(C)[H]
SPLASH splash10-0159-0090000000-6639e48b058917248c64
Source of Spectrum KC-0-1910-31
Wiley ID 831144