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6-Fluorobicyclo[2.2.1]hept-2-yl 4-methylbenzene-1-sulfonate (other isomer)
SpectraBase Compound ID HO1Sdj2QKML
InChI InChI=1S/C14H17FO3S/c1-9-2-4-11(5-3-9)19(16,17)18-14-8-10-6-12(14)13(15)7-10/h2-5,10,12-14H,6-8H2,1H3/t10-,12+,13+,14+/m0/s1
InChIKey BFWVEZWIQRGRNB-IGHBBLSQSA-N
Mol Weight 284.35 g/mol
Molecular Formula C14H17FO3S
Exact Mass 284.088244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UXIpPqpsax
Name 6-Fluorobicyclo[2.2.1]hept-2-yl 4-methylbenzene-1-sulfonate (other isomer)
Alternate Name(s) 6-Fluorobicyclo[2.2.1]hept-2-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(3R,5R)-3-fluoro-5-bicyclo[2.2.1]heptanyl] ester [(3R,5R)-3-fluoro-5-bicyclo[2.2.1]heptanyl] 4-methylbenzenesulfonate [(2R,6R)-6-fluoronorbornan-2-yl] 4-methylbenzenesulfonate [(3R,5R)-3-fluoranyl-5-bicyclo[2.2.1]heptanyl] 4-methylbenzenesulfonate
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Formula C14H17FO3S
InChI InChI=1S/C14H17FO3S/c1-9-2-4-11(5-3-9)19(16,17)18-14-8-10-6-12(14)13(15)7-10/h2-5,10,12-14H,6-8H2,1H3/t10-,12+,13+,14+/m0/s1
InChIKey BFWVEZWIQRGRNB-IGHBBLSQSA-N
Molecular Weight 284.345 g/mol
SMILES Cc1ccc(S(O[C@]2([C@]3([C@](F)(C[C@@](C2)(C3)[H])[H])[H])[H])(=O)=O)cc1
SPLASH splash10-014i-9100000000-988ce08e3a10270aea45
Source of Spectrum AD-0-2532-0
Wiley ID 1423329