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Furo[2,3-d]-1,3-dioxole, methanesulfonic acid deriv.

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Furo[2,3-d]-1,3-dioxole, methanesulfonic acid deriv.
SpectraBase Compound ID 4MGhdhDXcav
InChI InChI=1S/C12H17F3O6S/c1-4-5-6-7-8(21-22(16,17)12(13,14)15)9-10(18-7)20-11(2,3)19-9/h4,7-10H,1,5-6H2,2-3H3/t7-,8-,9+,10+/m0/s1
InChIKey JWBKOJLDERUYNT-AXTSPUMRSA-N
Mol Weight 346.32 g/mol
Molecular Formula C12H17F3O6S
Exact Mass 346.069794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFsvoD0Hv0s
Name Furo[2,3-D]-1,3-dioxole, methanesulfonic acid deriv.
Comments Computed using HOSE algorithm
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Exact Mass 346.069793924 u
Formula C12H17F3O6S
InChI InChI=1S/C12H17F3O6S/c1-4-5-6-7-8(21-22(16,17)12(13,14)15)9-10(18-7)20-11(2,3)19-9/h4,7-10H,1,5-6H2,2-3H3/t7-,8-,9+,10+/m0/s1
InChIKey JWBKOJLDERUYNT-AXTSPUMRSA-N
Molecular Weight 346.317 g/mol
SMILES [C@]1(OS(C(F)(F)F)(=O)=O)([C@@]2([C@](OC(O2)(C)C)([H])O[C@]1(CCC=C)[H])[H])[H]