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(R)-MTPA(2-methoxy-2-(trifluoromethyl)-2-phenylacetyl)-Ester of (2S,3R)-3-hydroxy-2-methyldecanoate
SpectraBase Compound ID GcqfWx6zjY
InChI InChI=1S/C22H31F3O5/c1-5-6-7-8-12-15-18(16(2)19(26)28-3)30-20(27)21(29-4,22(23,24)25)17-13-10-9-11-14-17/h9-11,13-14,16,18H,5-8,12,15H2,1-4H3/t16-,18+,21+/m0/s1
InChIKey CFOPTDWDSXIVQN-YRISNDGFSA-N
Mol Weight 432.48 g/mol
Molecular Formula C22H31F3O5
Exact Mass 432.212359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDZxNQmg0d4
Name (R)-MTPA(2-methoxy-2-(trifluoromethyl)-2-phenylacetyl)-Ester of (2S,3R)-3-hydroxy-2-methyldecanoate
Alternate Name(s) (2S,3R)-2-methyl-3-[(2R)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]decanoic acid methyl ester Methyl (2S,3R)-2-methyl-3-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxydecanoate Methyl (2S,3R)-2-methyl-3-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy-decanoate Methyl (2S,3R)-2-methyl-3-[(2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy-decanoate
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Formula C22H31F3O5
InChI InChI=1S/C22H31F3O5/c1-5-6-7-8-12-15-18(16(2)19(26)28-3)30-20(27)21(29-4,22(23,24)25)17-13-10-9-11-14-17/h9-11,13-14,16,18H,5-8,12,15H2,1-4H3/t16-,18+,21+/m0/s1
InChIKey CFOPTDWDSXIVQN-YRISNDGFSA-N
Molecular Weight 432.480 g/mol
SMILES [C@@](C(O[C@@]([C@@](C(=O)OC)(C)[H])(CCCCCCC)[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-00kr-6900000000-b1967a8496792c7b8f3e
Source of Spectrum J-59-7224-4
Wiley ID 1382207