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2-Butanone-1,1,1-D3, 3-methyl-3-(phenylsulfonyl)-
SpectraBase Compound ID IyP8SX3btcS
InChI InChI=1S/C11H14O3S/c1-9(12)11(2,3)15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3/i1D3
InChIKey BJEGAKXYZCATGB-FIBGUPNXSA-N
Mol Weight 229.31 g/mol
Molecular Formula C11H112D3O3S
Exact Mass 229.085196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yGIyRdl2E4
Name 2-Butanone-1,1,1-D3, 3-methyl-3-(phenylsulfonyl)-
CAS Registry Number 62292-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11D3O3S
InChI InChI=1S/C11H14O3S/c1-9(12)11(2,3)15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3/i1D3
InChIKey BJEGAKXYZCATGB-FIBGUPNXSA-N
Molecular Weight 229.308 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(=O)C([2D])([2D])[2D])(C)C
SPLASH splash10-004r-9730000000-ca1440225ca35eb06cb1
Source of Spectrum KC-1976-2033-0
Synonyms 3-Methyl-3-phenylsulphonyl(1,1,1-D3)butan-2-one
Wiley ID 1227028