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1-Propan-1,1-D2-ol, 2,2-dimethyl-, 4-methylbenzenesulfonate
SpectraBase Compound ID ENaG4DjSCAf
InChI InChI=1S/C12H18O3S/c1-10-5-7-11(8-6-10)16(13,14)15-9-12(2,3)4/h5-8H,9H2,1-4H3/i9D2
InChIKey ZIUSUDLSXJPGTD-KNXIQCGSSA-N
Mol Weight 244.35 g/mol
Molecular Formula C12H162D2O3S
Exact Mass 244.110219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PPS2T6jMO
Name 1-Propanol, 1,1-dideutero-, 2,2-dimethyl-, 4-methylbenzenesulfonate
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Formula C12H16D2O3S
InChI InChI=1S/C12H18O3S/c1-10-5-7-11(8-6-10)16(13,14)15-9-12(2,3)4/h5-8H,9H2,1-4H3/i9D2
InChIKey ZIUSUDLSXJPGTD-KNXIQCGSSA-N
Molecular Weight 244.345 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C(C)(C)C)([D])[D]
SPLASH splash10-0a4i-4900000000-fa8afc59aea0773bfefb
Source of Spectrum O-20-749-5
Synonyms 1-Propanol, 1,1-dideutero-, 2,2-dimethyl-, p-toluenesulfonate 1,1-Dideutero-2,2-dimethylpropyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid , 1,1-dideutero-2,2-dimethylpropyl ester
Wiley ID 1244810