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(1S,1'R/S)-1,2-O-isopropylidene-4,5-di-O-methyl-1-(2'-oxo-1'-cyclohexyl)-D-arabinitol
SpectraBase Compound ID FbsU1FwCd9i
InChI InChI=1S/C16H28O6/c1-16(2)21-14(10-7-5-6-8-11(10)17)15(22-16)13(18)12(20-4)9-19-3/h10,12-15,18H,5-9H2,1-4H3/t10?,12-,13+,14+,15-/m1/s1
InChIKey FOGRIKNBMPYNMN-GISFEHRLSA-N
Mol Weight 316.39 g/mol
Molecular Formula C16H28O6
Exact Mass 316.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dDHrvPJyWT
Name (1S,1'R/S)-1,2-O-isopropylidene-4,5-di-O-methyl-1-(2'-oxo-1'-cyclohexyl)-D-arabinitol
Alternate Name(s) 2-[(4S,5R)-5-((1S,2R)-1-Hydroxy-2,3-dimethoxy-propyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-cclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O6
InChI InChI=1S/C16H28O6/c1-16(2)21-14(10-7-5-6-8-11(10)17)15(22-16)13(18)12(20-4)9-19-3/h10,12-15,18H,5-9H2,1-4H3/t10?,12-,13+,14+,15-/m1/s1
InChIKey FOGRIKNBMPYNMN-GISFEHRLSA-N
Molecular Weight 316.394 g/mol
SMILES O[C@]([C@@]1([C@@](OC(O1)(C)C)(C1C(=O)CCCC1)[H])[H])([C@](OC)(COC)[H])[H]
SPLASH splash10-0udi-2009000000-342bb88789469917b9c1
Source of Spectrum J-73-5295-51
Wiley ID 1668417