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3(R)-fluoro-4-methyl-1,4-pentanediol 1-acetate
SpectraBase Compound ID ECn5bK9e1nL
InChI InChI=1S/C8H15FO3/c1-6(10)12-5-4-7(9)8(2,3)11/h7,11H,4-5H2,1-3H3/t7-/m1/s1
InChIKey PWKWTPOAFJRFIC-SSDOTTSWSA-N
Mol Weight 178.2 g/mol
Molecular Formula C8H15FO3
Exact Mass 178.100523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVcBTszKduA
Name 3(R)-fluoro-4-methyl-1,4-pentanediol 1-acetate
CAS Registry Number 86677-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15FO3
InChI InChI=1S/C8H15FO3/c1-6(10)12-5-4-7(9)8(2,3)11/h7,11H,4-5H2,1-3H3/t7-/m1/s1
InChIKey PWKWTPOAFJRFIC-SSDOTTSWSA-N
Molecular Weight 178.203 g/mol
SMILES OC([C@@](CCOC(=O)C)(F)[H])(C)C
SPLASH splash10-0a4i-9300000000-2147d650fa0a1a9f4500
Source of Spectrum J-53-1043-9
Synonyms (3R)-3-fluoro-4-hydroxy-4-methylpentyl acetate Acetic acid [(3R)-3-fluoro-4-hydroxy-4-methylpentyl] ester [(3R)-3-fluoro-4-hydroxy-4-methylpentyl] acetate [(3R)-3-fluoro-4-hydroxy-4-methyl-pentyl] acetate [(3R)-3-fluoranyl-4-methyl-4-oxidanyl-pentyl] ethanoate
Wiley ID 1173729