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(R*,S*)-6-(1-Chloroundecyl)-2-oxotetrahydropyrane
SpectraBase Compound ID Kw5oHGmNSQ9
InChI InChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-11-14(17)15-12-10-13-16(18)19-15/h14-15H,2-13H2,1H3/t14-,15+/m0/s1
InChIKey OVFDOHWHAZEYFX-LSDHHAIUSA-N
Mol Weight 288.86 g/mol
Molecular Formula C16H29ClO2
Exact Mass 288.185608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpvHkCG7GiM
Name (R*,S*)-6-(1-Chloroundecyl)-2-oxotetrahydropyrane
Appearance Yellow oil
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Exact Mass 288.185607872 u
Formula C16H29ClO2
InChI InChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-11-14(17)15-12-10-13-16(18)19-15/h14-15H,2-13H2,1H3/t14-,15+/m0/s1
InChIKey OVFDOHWHAZEYFX-LSDHHAIUSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201391
Quality 169
Reported Formula C16H29ClO2
SMILES [C@@](Cl)(CCCCCCCCCC)([C@]1(CCCC(O1)=O)[H])[H]
SPLASH splash10-052b-9000000000-466062bf21ec646c9552
Sample Comments dr = 53:47
Source of Spectrum K1-26-6-16a (DOI: 10.1002/ejoc.202201391)
Thin-Layer Chromatography 0.27 (hexanes/MTBE, 3:1)
Wiley ID 1910571