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1,3-Dioxolane-4-methanol, 2,2,5-trimethyl-, 4-methylbenzenesulfonate, (4S-trans)-
SpectraBase Compound ID awStYhBpL5
InChI InChI=1S/C14H20O5S/c1-10-5-7-12(8-6-10)20(15,16)17-9-13-11(2)18-14(3,4)19-13/h5-8,11,13H,9H2,1-4H3/t11-,13-/m0/s1
InChIKey URJNPCRTQLXDBY-AAEUAGOBSA-N
Mol Weight 300.37 g/mol
Molecular Formula C14H20O5S
Exact Mass 300.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYEXXC93JvU
Name 1,3-Dioxolane-4-methanol, 2,2,5-trimethyl-, 4-methylbenzenesulfonate, (4S-trans)-
Comments Computed using HOSE algorithm
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Exact Mass 300.103144913 u
Formula C14H20O5S
InChI InChI=1S/C14H20O5S/c1-10-5-7-12(8-6-10)20(15,16)17-9-13-11(2)18-14(3,4)19-13/h5-8,11,13H,9H2,1-4H3/t11-,13-/m0/s1
InChIKey URJNPCRTQLXDBY-AAEUAGOBSA-N
SMILES C(OS(C=1C=CC(=CC1)C)(=O)=O)[C@@]1(OC(C)(C)O[C@]1(C)[H])[H]