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(Pentadeuterio-ethyl)-p-toluenesulfonate
SpectraBase Compound ID 4A7sQ2iHtrf
InChI InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3/i1D3,3D2
InChIKey VRZVPALEJCLXPR-WNWXXORZSA-N
Mol Weight 205.28 g/mol
Molecular Formula C9H7D5O3S
Exact Mass 205.082099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eyUqfTk3XJ
Name (Pentadeuterio-ethyl)-p-toluenesulfonate
Alternate Name(s) 1,1,2,2,2-pentadeuterioethyl 4-methylbenzenesulfonate
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Formula C9H7D5O3S
InChI InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3/i1D3,3D2
InChIKey VRZVPALEJCLXPR-WNWXXORZSA-N
Molecular Weight 205.283 g/mol
SMILES C(OS(c1ccc(C)cc1)(=O)=O)(C([D])([D])[D])([D])[D]
SPLASH splash10-0a4l-9540000000-7acffd358c39104b3ce9
Source of Spectrum U-1994-140-45
Wiley ID 765740