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(3R,4S,6R)-2-phenethoxy-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
SpectraBase Compound ID LstGHk4e1TL
InChI InChI=1S/C22H16F12O10/c23-19(24,25)15(35)40-8-10-11(42-16(36)20(26,27)28)12(43-17(37)21(29,30)31)13(44-18(38)22(32,33)34)14(41-10)39-7-6-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKey NOABXVMGFIRNNW-UHFFFAOYSA-N
Mol Weight 668.34 g/mol
Molecular Formula C22H16F12O10
Exact Mass 668.055185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 985koj6RYc8
Name (3R,4S,6R)-2-phenethoxy-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
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Formula C22H16F12O10
InChI InChI=1S/C22H16F12O10/c23-19(24,25)15(35)40-8-10-11(42-16(36)20(26,27)28)12(43-17(37)21(29,30)31)13(44-18(38)22(32,33)34)14(41-10)39-7-6-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKey NOABXVMGFIRNNW-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.chroma.2013.08.051
Molecular Weight 668.341 g/mol
SMILES C1(C(C(C(C(O1)OCCc1ccccc1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O
SPLASH splash10-0a4i-3900000000-e16b528b7b639e904dc7
Source of Spectrum Kai Cai, et al. Journal of Chromatography A, 10.1016/j.chroma.2013.08.051
Wiley ID 1816187