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(2R,5S,Rs)-2-Allyl-5-hydroxymethyl-2-(p-toluenesulfinylmethyl)tetrahydropyran
SpectraBase Compound ID EeSvT13BXpT
InChI InChI=1S/C17H24O3S/c1-3-9-17(10-8-15(11-18)12-20-17)13-21(19)16-6-4-14(2)5-7-16/h3-7,15,18H,1,8-13H2,2H3/t15-,17-,21?/m0/s1
InChIKey MBJBMQLNABIPSW-PHIGLHEMSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJt1L04Duti
Name (2R,5S,Rs)-2-Allyl-5-hydroxymethyl-2-(p-toluenesulfinylmethyl)tetrahydropyran
Alternate Name(s) ((3S,6R)-6-allyl-6-{[(4-methylphenyl)sulfinyl]methyl}tetrahydro-2H-pyran-3-yl)methanol (2R,5S,Rs)-2-Allyl-5-hydroxy-2-(p-toluenesulfinylmethyl)tetrahydropyran
Comments Less than 3 mono-isotopic peaks
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Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-3-9-17(10-8-15(11-18)12-20-17)13-21(19)16-6-4-14(2)5-7-16/h3-7,15,18H,1,8-13H2,2H3/t15-,17-,21?/m0/s1
InChIKey MBJBMQLNABIPSW-PHIGLHEMSA-N
Molecular Weight 308.436 g/mol
SMILES OC[C@@]1(CC[C@@](C[S@@](c2ccc(cc2)C)=O)(OC1)CC=C)[H]
SPLASH splash10-014i-0090000000-aa5e899327dcd8710d08
Source of Spectrum F-54-13094-2
Wiley ID 809443