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[(2S,3R)-3-propyloxiran-2-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID 1i48WNWIX9T
InChI InChI=1S/C13H18O4S/c1-3-4-12-13(17-12)9-16-18(14,15)11-7-5-10(2)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3/t12-,13+/m1/s1
InChIKey QDPITHJQVMFWHD-OLZOCXBDSA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXkCuYjxc0N
Name [(2S,3R)-3-propyloxiran-2-yl]methyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid [(2S,3R)-3-propyl-2-oxiranyl]methyl ester
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Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-3-4-12-13(17-12)9-16-18(14,15)11-7-5-10(2)6-8-11/h5-8,12-13H,3-4,9H2,1-2H3/t12-,13+/m1/s1
InChIKey QDPITHJQVMFWHD-OLZOCXBDSA-N
Molecular Weight 270.343 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]1(O[C@@]1(CCC)[H])[H]
SPLASH splash10-0537-9200000000-958a00629fc33823aba7
Source of Spectrum F-52-3618-0
Wiley ID 795707