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(E)-2,2-DIMETHYLPROPANETHIAL-S-OXIDE
SpectraBase Compound ID xI8qmymBhL
InChI InChI=1S/C5H10OS/c1-5(2,3)4-7-6/h4H,1-3H3
InChIKey PTPANUXKBRGOCK-UHFFFAOYSA-N
Mol Weight 118.19 g/mol
Molecular Formula C5H10OS
Exact Mass 118.045236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQJqlLSPqlt
Name (E)-2,2-DIMETHYLPROPANETHIAL-S-OXIDE
Compound Number 5E-TRA NS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H10OS
InChI InChI=1S/C5H10OS/c1-5(2,3)4-7-6/h4H,1-3H3
InChIKey PTPANUXKBRGOCK-UHFFFAOYSA-N
Literature Reference Author E.BLOCK,J.Z.GILLIES,C.W.GILLIES,A.A.BAZZI,D.PUTMAN,L.K.REVEL LE,D.WANG,X.ZHANG
Literature Reference Citation J.AM.CHEM.SOC.,118,7492(1996)
Literature Reference DOI 10.1021/ja960722j
Molecular Weight 118.194 g/mol
Sample ID 36074
Solvent CDCl3