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(3aS,5aR,6S,9aR)-6-Hydroxy-(octahydro)-cyclopenta[c]inden-3-yl (trifluoromethane)sulfonate
SpectraBase Compound ID Gh6NgwMV49D
InChI InChI=1S/C13H17F3O4S/c14-13(15,16)21(18,19)20-11-5-7-12-6-1-2-10(17)8(12)3-4-9(11)12/h5,8-10,17H,1-4,6-7H2/t8-,9+,10-,12+/m0/s1
InChIKey MWDNESZULOYBDD-MIZYBKAJSA-N
Mol Weight 326.33 g/mol
Molecular Formula C13H17F3O4S
Exact Mass 326.079965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JI2JfPYwNX
Name (3aS,5aR,6S,9aR)-6-Hydroxy-(octahydro)-cyclopenta[c]inden-3-yl (trifluoromethane)sulfonate
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Formula C13H17F3O4S
InChI InChI=1S/C13H17F3O4S/c14-13(15,16)21(18,19)20-11-5-7-12-6-1-2-10(17)8(12)3-4-9(11)12/h5,8-10,17H,1-4,6-7H2/t8-,9+,10-,12+/m0/s1
InChIKey MWDNESZULOYBDD-MIZYBKAJSA-N
Molecular Weight 326.330 g/mol
SMILES O[C@@]1([C@]2([C@@]3([C@@](C(OS(C(F)(F)F)(=O)=O)=CC3)(CC2)[H])CCC1)[H])[H]
SPLASH splash10-016s-6920000000-509d6e43da24d5bcdb85
Source of Spectrum H-85-3258-21
Synonyms (3aS,5aR,6S,9aR)-6-hydroxy-3a,4,5,5a,6,7,8,9-octahydro-1H-cyclopenta[c]inden-3-yl trifluoromethanesulfonate 6-Hydroxy-(octahydro)-cyclopenta[c]inden-3-yl (trifluoromethane)sulfonate
Wiley ID 1524936