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(2R,3R)-2-Methylpentane-1,3,5-triyl (S)-(-)-tris(methoxytrifluoromethylphenylacetate)
SpectraBase Compound ID 3iQfpcbYhpZ
InChI InChI=1S/C36H35F9O9/c1-23(22-53-29(47)32(50-3,35(40,41)42)25-16-10-6-11-17-25)27(54-30(48)33(51-4,36(43,44)45)26-18-12-7-13-19-26)20-21-52-28(46)31(49-2,34(37,38)39)24-14-8-5-9-15-24/h5-19,23,27H,20-22H2,1-4H3/t23-,27-,31+,32+,33+/m1/s1
InChIKey IWJCHOYASXGQMN-RLQFRGFASA-N
Mol Weight 782.7 g/mol
Molecular Formula C36H35F9O9
Exact Mass 782.213736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2syVjibIjQ
Name (2R,3R)-2-Methylpentane-1,3,5-triyl (S)-(-)-tris(methoxytrifluoromethylphenylacetate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H35F9O9
InChI InChI=1S/C36H35F9O9/c1-23(22-53-29(47)32(50-3,35(40,41)42)25-16-10-6-11-17-25)27(54-30(48)33(51-4,36(43,44)45)26-18-12-7-13-19-26)20-21-52-28(46)31(49-2,34(37,38)39)24-14-8-5-9-15-24/h5-19,23,27H,20-22H2,1-4H3/t23-,27-,31+,32+,33+/m1/s1
InChIKey IWJCHOYASXGQMN-RLQFRGFASA-N
Molecular Weight 782.653 g/mol
SMILES [C@](C(O[C@@]([C@@](COC([C@](C(F)(F)F)(c1ccccc1)OC)=O)(C)[H])(CCOC([C@](C(F)(F)F)(c1ccccc1)OC)=O)[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-00m1-6903060000-fb2608bfbba27669d175
Source of Spectrum AT-39-3183-16
Synonyms 2,4-Dideoxy-2-methyl-1,3,5-tris-O-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-D-threo-pentitol
Wiley ID 854173