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[(3-METHYLPENTANE-3-YL)-SULFONYL]-BENZENE
SpectraBase Compound ID KDPhqANdJ8P
InChI InChI=1S/C12H18O2S/c1-4-12(3,5-2)15(13,14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKey AJCQXWZBOGTGKM-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmG9CBPEO2
Name [(3-METHYLPENTANE-3-YL)-SULFONYL]-BENZENE
Compound Number 1 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-4-12(3,5-2)15(13,14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKey AJCQXWZBOGTGKM-UHFFFAOYSA-N
Literature Reference Author T.HEB,G.RAABE,H.J.GAIS
Literature Reference Citation EUR.J.ORG.CHEM.,2014,7134(2014)
Literature Reference DOI 10.1002/ejoc.201402896
Molecular Weight 226.334 g/mol
Solvent CDCl3
Source File Reference UWLU85479