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2,2-Dimethyl-4,5-dideuterio-4-benzylthiocarbonyl-1,3-dioxolane
SpectraBase Compound ID K2ICzwAfMTa
InChI InChI=1S/C13H16O3S/c1-13(2)15-8-11(16-13)12(14)17-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/i8D,11D/t8-,11?/m1/s1
InChIKey FNOOTXUARTXWGX-GKKKBQLWSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H14D2O3S
Exact Mass 254.094569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyKfNOwE8Ij
Name 2,2-Dimethyl-4,5-dideuterio-4-benzylthiocarbonyl-1,3-dioxolane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14D2O3S
InChI InChI=1S/C13H16O3S/c1-13(2)15-8-11(16-13)12(14)17-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/i8D,11D/t8-,11?/m1/s1
InChIKey FNOOTXUARTXWGX-GKKKBQLWSA-N
Molecular Weight 254.340 g/mol
SMILES C1(OC(C)(C)O[C@@]1([D])[H])(C(SCc1ccccc1)=O)[D]
SPLASH splash10-0006-9100000000-c0f2bcda12f90249088f
Source of Spectrum F-50-864-12
Synonyms (4R,5R)-2,2-Dimethyl-4,5-dideuterio-4-benzylthiocarbonyl-1,3-dioxolane
Wiley ID 1255338