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(R*,S*)-1-(6-Oxotetrahydropyran-2-yl)undecyl methanesulfonate
SpectraBase Compound ID B4CpScb3Z7J
InChI InChI=1S/C17H32O5S/c1-3-4-5-6-7-8-9-10-12-16(22-23(2,19)20)15-13-11-14-17(18)21-15/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1
InChIKey LQNWVCMVGFNPKZ-JKSUJKDBSA-N
Mol Weight 348.5 g/mol
Molecular Formula C17H32O5S
Exact Mass 348.197045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hWkMS4HOsW
Name (R*,S*)-1-(6-Oxotetrahydropyran-2-yl)undecyl methanesulfonate
Appearance Colorless solid
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Exact Mass 348.197045299 u
Formula C17H32O5S
InChI InChI=1S/C17H32O5S/c1-3-4-5-6-7-8-9-10-12-16(22-23(2,19)20)15-13-11-14-17(18)21-15/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1
InChIKey LQNWVCMVGFNPKZ-JKSUJKDBSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201391
Molecular Weight 348.498 g/mol
Quality 114
Reported Formula C17H32O5S
SMILES [C@]([C@]1(OC(CCC1)=O)[H])(OS(C)(=O)=O)(CCCCCCCCCC)[H]
SPLASH splash10-0002-9000000000-c46939718f1332d5635a
Sample Comments dr = 60:40
Source of Spectrum K1-26-5-15a (DOI: 10.1002/ejoc.202201391)
Thin-Layer Chromatography 0.27 (hexanes/EtOAc, 1:1)
Wiley ID 1910569