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1,2-threo-2,3-erythro isomer of 2-fluoro-1-phenyl-2-(trifluoromethyl)-1,3-hexanediol
SpectraBase Compound ID Kqu9XB8LVEc
InChI InChI=1S/C13H16F4O2/c1-2-6-10(18)12(14,13(15,16)17)11(19)9-7-4-3-5-8-9/h3-5,7-8,10-11,18-19H,2,6H2,1H3
InChIKey BYESIXCHFIVSMU-UHFFFAOYSA-N
Mol Weight 280.26 g/mol
Molecular Formula C13H16F4O2
Exact Mass 280.108642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsXf6azQ5Eg
Name 1,2-threo-2,3-erythro isomer of 2-fluoro-1-phenyl-2-(trifluoromethyl)-1,3-hexanediol
Alternate Name(s) 2-Fluoro-1-phenyl-2-(trifluoromethyl)-1,3-hexanediol
CAS Registry Number 126373-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16F4O2
InChI InChI=1S/C13H16F4O2/c1-2-6-10(18)12(14,13(15,16)17)11(19)9-7-4-3-5-8-9/h3-5,7-8,10-11,18-19H,2,6H2,1H3
InChIKey BYESIXCHFIVSMU-UHFFFAOYSA-N
Molecular Weight 280.263 g/mol
SMILES OC(C(C(O)CCC)(C(F)(F)F)F)c1ccccc1
SPLASH splash10-0a4i-0900000000-b8794950bb7decd712df
Source of Spectrum J-55-3113-8
Wiley ID 1283512