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(5R,1'S,2'S)-Methyl 5-Methyl-5-(2'-trifluoroacetamido-1'-phenylpropoxy)oct-7-enoate
SpectraBase Compound ID 4RAErdLdDgY
InChI InChI=1S/C21H28F3NO4/c1-5-13-20(3,14-9-12-17(26)28-4)29-18(16-10-7-6-8-11-16)15(2)25-19(27)21(22,23)24/h5-8,10-11,15,18H,1,9,12-14H2,2-4H3,(H,25,27)/t15-,18+,20-/m1/s1
InChIKey JTFPVTNUKJKAFU-MOXGXCLJSA-N
Mol Weight 415.45 g/mol
Molecular Formula C21H28F3NO4
Exact Mass 415.197043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aaf3ulo4tAj
Name (5R,1'S,2'S)-Methyl 5-Methyl-5-(2'-trifluoroacetamido-1'-phenylpropoxy)oct-7-enoate
Alternate Name(s) (S)-5-Methyl-5-[(1R,2R)-1-phenyl-2-(2,2,2-trifluoro-acetylamino)-propoxy]-oct-7-enoic acid methyl ester Methyl (5R)-5-methyl-5-({(1S,2S)-1-phenyl-2-[(trifluoroacetyl)amino]propyl}oxy)-7-octenoate (5S)-5-methyl-5-[(1R,2R)-1-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propoxy]-7-octenoic acid methyl ester Methyl (5S)-5-methyl-5-[(1R,2R)-1-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propoxy]oct-7-enoate Methyl (5S)-5-methyl-5-[(1R,2R)-1-phenyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propoxy]oct-7-enoate
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Formula C21H28F3NO4
InChI InChI=1S/C21H28F3NO4/c1-5-13-20(3,14-9-12-17(26)28-4)29-18(16-10-7-6-8-11-16)15(2)25-19(27)21(22,23)24/h5-8,10-11,15,18H,1,9,12-14H2,2-4H3,(H,25,27)/t15-,18+,20-/m1/s1
InChIKey JTFPVTNUKJKAFU-MOXGXCLJSA-N
Molecular Weight 415.453 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@]([C@](O[C@](CC=C)(CCCC(=O)OC)C)(c1ccccc1)[H])(C)[H]
SPLASH splash10-00lr-2970000000-929ea8d54648ec52301a
Source of Spectrum QE-4-1866-4
Wiley ID 843803