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Methyl anti-3-Fluoro-2-hydroxyicosanoate
SpectraBase Compound ID 965CnXKgXTh
InChI InChI=1S/C21H41FO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(23)21(24)25-2/h19-20,23H,3-18H2,1-2H3/t19-,20-/m1/s1
InChIKey KVJHWSJLSUNBIN-WOJBJXKFSA-N
Mol Weight 360.6 g/mol
Molecular Formula C21H41FO3
Exact Mass 360.303973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mIVbM6wac1
Name Methyl anti-3-Fluoro-2-hydroxyicosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H41FO3
InChI InChI=1S/C21H41FO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(23)21(24)25-2/h19-20,23H,3-18H2,1-2H3/t19-,20-/m1/s1
InChIKey KVJHWSJLSUNBIN-WOJBJXKFSA-N
Molecular Weight 360.554 g/mol
SMILES O[C@@](C(=O)OC)([C@](F)(CCCCCCCCCCCCCCCCC)[H])[H]
SPLASH splash10-000x-9383000000-52377605117ca7429c72
Source of Spectrum U1-2011-360-1c
Synonyms (2S,3R)-3-fluoro-2-hydroxyeicosanoic acid methyl ester Methyl (2S,3R)-3-fluoro-2-hydroxyicosanoate Methyl (2S,3R)-3-fluoro-2-hydroxy-icosanoate Methyl (2S,3R)-3-fluoranyl-2-oxidanyl-icosanoate
Wiley ID 1664874