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(Rs)-5-Benzyloxy-6-(tetrahydropyran-2-yloxy)-5-(terthydropyran-2-yloxymethyl)-1-(p-toluenesulfinyl)hexan-2-one
SpectraBase Compound ID 3Q85CbzVcFp
InChI InChI=1S/C31H42O7S/c1-25-13-15-28(16-14-25)39(33)22-27(32)17-18-31(23-36-29-11-5-7-19-34-29,24-37-30-12-6-8-20-35-30)38-21-26-9-3-2-4-10-26/h2-4,9-10,13-16,29-30H,5-8,11-12,17-24H2,1H3
InChIKey SFPQFJLBVOCWKN-UHFFFAOYSA-N
Mol Weight 558.7 g/mol
Molecular Formula C31H42O7S
Exact Mass 558.265125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNFPeZycG3g
Name (Rs)-5-Benzyloxy-6-(tetrahydropyran-2-yloxy)-5-(terthydropyran-2-yloxymethyl)-1-(p-toluenesulfinyl)hexan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C31H42O7S
InChI InChI=1S/C31H42O7S/c1-25-13-15-28(16-14-25)39(33)22-27(32)17-18-31(23-36-29-11-5-7-19-34-29,24-37-30-12-6-8-20-35-30)38-21-26-9-3-2-4-10-26/h2-4,9-10,13-16,29-30H,5-8,11-12,17-24H2,1H3
InChIKey SFPQFJLBVOCWKN-UHFFFAOYSA-N
Molecular Weight 558.730 g/mol
SMILES C([S@@](c1ccc(cc1)C)=O)C(=O)CCC(OCc1ccccc1)(COC1OCCCC1)COC1OCCCC1
SPLASH splash10-000i-9000000000-0c30d03127c705437f6b
Source of Spectrum E1-46-219-6
Wiley ID 1554173