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Benzene, [(1-methyl-2-phenylethyl-2-d)thio]-, (R*,R*)-
SpectraBase Compound ID KE1e3urIAfU
InChI InChI=1S/C15H16S/c1-13(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m1/s1/i12D/t12-,13+/m0
InChIKey VLWAPPYAGMBBIA-BUYOVDIPSA-N
Mol Weight 229.36 g/mol
Molecular Formula C15H152DS
Exact Mass 229.103548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I15aXxemlgh
Name Benzene, [(1-methyl-2-phenylethyl-2-d)thio]-, (R*,R*)-
Alternate Name(s) Phenyl[(1-2H1)-1-phenyl 2-propyl]thioether (threo configuration)
CAS Registry Number 90159-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15DS
InChI InChI=1S/C15H16S/c1-13(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m1/s1/i12D/t12-,13+/m0
InChIKey VLWAPPYAGMBBIA-BUYOVDIPSA-N
Molecular Weight 229.359 g/mol
SMILES [C@@](Sc1ccccc1)([C@@](c1ccccc1)([2D])[H])(C)[H]
SPLASH splash10-004l-9460000000-9233f061fa24d01d9358
Source of Spectrum AC-1983-184-0
Wiley ID 1230222