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(3S,1'S,2'S)-1-O-Acetyl-3-methyl-3-(1'-phenyl-2'-trifluoroacetamido-1'-propoxy)hex-5-en-1-ol
SpectraBase Compound ID CM9rbrKth4d
InChI InChI=1S/C20H26F3NO4/c1-5-11-19(4,12-13-27-15(3)25)28-17(16-9-7-6-8-10-16)14(2)24-18(26)20(21,22)23/h5-10,14,17H,1,11-13H2,2-4H3,(H,24,26)/t14-,17+,19-/m0/s1
InChIKey ZRHISUAAARRJPK-YJLNNSPDSA-N
Mol Weight 401.43 g/mol
Molecular Formula C20H26F3NO4
Exact Mass 401.181393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NRwDAhqCzU
Name (3S,1'S,2'S)-1-O-Acetyl-3-methyl-3-(1'-phenyl-2'-trifluoroacetamido-1'-propoxy)hex-5-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26F3NO4
InChI InChI=1S/C20H26F3NO4/c1-5-11-19(4,12-13-27-15(3)25)28-17(16-9-7-6-8-10-16)14(2)24-18(26)20(21,22)23/h5-10,14,17H,1,11-13H2,2-4H3,(H,24,26)/t14-,17+,19-/m0/s1
InChIKey ZRHISUAAARRJPK-YJLNNSPDSA-N
Molecular Weight 401.426 g/mol
SMILES N(C(C(F)(F)F)=O)[C@]([C@@](O[C@](CCOC(=O)C)(CC=C)C)(c1ccccc1)[H])(C)[H]
SPLASH splash10-0006-9001000000-68daaa064c3cd8d20857
Source of Spectrum QE-4-1868-8
Synonyms (3S)-3-methyl-3-({(1S,2S)-1-phenyl-2-[(trifluoroacetyl)amino]propyl}oxy)-5-hexenyl acetate Acetic acid (S)-3-methyl-3-[(1S,2S)-1-phenyl-2-(2,2,2-trifluoro-acetylamino)-propoxy]-hex-5-enyl ester
Wiley ID 843798