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2S,3R-Butyl-3,4-epoxy-1,1,1-trifluoro-2-octanol
SpectraBase Compound ID BRZFqEZZ2An
InChI InChI=1S/C12H21F3O2/c1-3-5-7-9-10(17-9)11(16,8-6-4-2)12(13,14)15/h9-10,16H,3-8H2,1-2H3/t9?,10-,11+/m1/s1
InChIKey PYYJADWEYDIMIP-ZOCYIJKUSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H21F3O2
Exact Mass 254.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQaRyFY9rnR
Name 2S,3R-Butyl-3,4-epoxy-1,1,1-trifluoro-2-octanol
Alternate Name(s) (2S)-2-[(2R)-3-butyloxiranyl]-1,1,1-trifluoro-2-hexanol
CAS Registry Number 139657-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21F3O2
InChI InChI=1S/C12H21F3O2/c1-3-5-7-9-10(17-9)11(16,8-6-4-2)12(13,14)15/h9-10,16H,3-8H2,1-2H3/t9?,10-,11+/m1/s1
InChIKey PYYJADWEYDIMIP-ZOCYIJKUSA-N
Molecular Weight 254.293 g/mol
SMILES O[C@@]([C@@]1(OC1CCCC)[H])(C(F)(F)F)CCCC
SPLASH splash10-056s-9550000000-4529766ee858b1db819c
Source of Spectrum K-125-1280-0
Wiley ID 1257429