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(3R,4S,6R)-2-(4-hydroxyphenethoxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)

View entire compound with spectra: 1 MS (GC)

(3R,4S,6R)-2-(4-hydroxyphenethoxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
SpectraBase Compound ID AAnedwdc9IV
InChI InChI=1S/C22H16F12O11/c23-19(24,25)15(36)41-7-10-11(43-16(37)20(26,27)28)12(44-17(38)21(29,30)31)13(45-18(39)22(32,33)34)14(42-10)40-6-5-8-1-3-9(35)4-2-8/h1-4,10-14,35H,5-7H2
InChIKey YFBSCYHVOWGXAI-UHFFFAOYSA-N
Mol Weight 684.34 g/mol
Molecular Formula C22H16F12O11
Exact Mass 684.050099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbU4s3MX2iX
Name (3R,4S,6R)-2-(4-hydroxyphenethoxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
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Formula C22H16F12O11
InChI InChI=1S/C22H16F12O11/c23-19(24,25)15(36)41-7-10-11(43-16(37)20(26,27)28)12(44-17(38)21(29,30)31)13(45-18(39)22(32,33)34)14(42-10)40-6-5-8-1-3-9(35)4-2-8/h1-4,10-14,35H,5-7H2
InChIKey YFBSCYHVOWGXAI-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.chroma.2013.08.051
Molecular Weight 684.340 g/mol
SMILES Oc1ccc(cc1)CCOC1C(C(C(C(O1)COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-014i-2391000000-6008a3101ca515cbb6ce
Source of Spectrum Kai Cai, et al. Journal of Chromatography A, 10.1016/j.chroma.2013.08.051
Wiley ID 1816188