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Acetic acid (1S,3R,5S,6S)-5-Fluoro-6-methyl-7-oxabicyclo[4.1.0]hept-3-yl ester
SpectraBase Compound ID LJJ1PV6b08t
InChI InChI=1S/C9H13FO3/c1-5(11)12-6-3-7(10)9(2)8(4-6)13-9/h6-8H,3-4H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKey VXFALSJQMNIKSN-XSPKLOCKSA-N
Mol Weight 188.2 g/mol
Molecular Formula C9H13FO3
Exact Mass 188.084872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnVnmSc4XVq
Name Acetic acid (1S,3R,5S,6S)-5-Fluoro-6-methyl-7-oxabicyclo[4.1.0]hept-3-yl ester
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Formula C9H13FO3
InChI InChI=1S/C9H13FO3/c1-5(11)12-6-3-7(10)9(2)8(4-6)13-9/h6-8H,3-4H2,1-2H3/t6-,7-,8-,9+/m0/s1
InChIKey VXFALSJQMNIKSN-XSPKLOCKSA-N
Molecular Weight 188.198 g/mol
SMILES [C@]12(O[C@]2(C[C@](C[C@@]1(F)[H])(OC(=O)C)[H])[H])C
SPLASH splash10-000x-9100000000-6e7c2e27f4db86fd9d14
Source of Spectrum J-63-6987-10
Synonyms (1S,3R,5S,6S)-5-fluoro-6-methyl-7-oxabicyclo[4.1.0]hept-3-yl acetate Acetic acid[(1S,3R,5S,6S)-5-fluoro-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]ester [(1S,3R,5S,6S)-5-fluoranyl-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]ethanoate [(1S,3R,5S,6S)-5-fluoro-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]acetate [(1S,3R,5S,6S)-5-fluoro-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl] acetate [(1S,3R,5S,6S)-5-fluoranyl-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl] ethanoate
Wiley ID 1184332