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(R,S)-2-(4-Hydroxy-4-methyl-5(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyloxy)pentyl)-2-methyl-1,3-dioxolane
SpectraBase Compound ID BOboVJf9q6v
InChI InChI=1S/C20H27F3O6/c1-17(25,10-7-11-18(2)28-12-13-29-18)14-27-16(24)19(26-3,20(21,22)23)15-8-5-4-6-9-15/h4-6,8-9,25H,7,10-14H2,1-3H3/t17?,19-/m0/s1
InChIKey XXKJEUHKMFTHHP-NNBQYGFHSA-N
Mol Weight 420.43 g/mol
Molecular Formula C20H27F3O6
Exact Mass 420.175973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zrflyJx7Vs
Name (R,S)-2-(4-Hydroxy-4-methyl-5(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyloxy)pentyl)-2-methyl-1,3-dioxolane
Alternate Name(s) (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (R)-2-hydroxy-2-methyl-5-(5-methyl-4,6-dioxa-spiro[2.3]hex-5-yl)-pentyl ester 2-Hydroxy-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pentyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
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Formula C20H27F3O6
InChI InChI=1S/C20H27F3O6/c1-17(25,10-7-11-18(2)28-12-13-29-18)14-27-16(24)19(26-3,20(21,22)23)15-8-5-4-6-9-15/h4-6,8-9,25H,7,10-14H2,1-3H3/t17?,19-/m0/s1
InChIKey XXKJEUHKMFTHHP-NNBQYGFHSA-N
Molecular Weight 420.425 g/mol
SMILES OC(COC([C@](C(F)(F)F)(c1ccccc1)OC)=O)(CCCC1(OCCO1)C)C
SPLASH splash10-000i-9400000000-97264166202ee225ac61
Source of Spectrum J-57-5847-9
Wiley ID 1377853