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(2R,Trans)-3-hexyloxyoxiranemethyl tosylate
SpectraBase Compound ID LoEdUUv5lbM
InChI InChI=1S/C16H24O4S/c1-3-4-5-6-7-15-16(20-15)12-19-21(17,18)14-10-8-13(2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3/t15-,16-/m1/s1
InChIKey STJDVQFRQSPGTM-HZPDHXFCSA-N
Mol Weight 312.42 g/mol
Molecular Formula C16H24O4S
Exact Mass 312.13953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Kkc7ufqOOg
Name (2R,Trans)-3-hexyloxyoxiranemethyl tosylate
Comments Computed using HOSE algorithm
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Exact Mass 312.139530423 u
Formula C16H24O4S
InChI InChI=1S/C16H24O4S/c1-3-4-5-6-7-15-16(20-15)12-19-21(17,18)14-10-8-13(2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3/t15-,16-/m1/s1
InChIKey STJDVQFRQSPGTM-HZPDHXFCSA-N
Molecular Weight 312.424 g/mol
SMILES C(OS(C=1C=CC(=CC1)C)(=O)=O)[C@]1(O[C@@]1(CCCCCC)[H])[H]