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5-(METHYLTHIO)-5-[(PARA-TOLYL)-SULFONYL]-1,4-PENTANEDIOL;MAJOR-DIASTEREOISOMER
SpectraBase Compound ID Jj90Uncvupi
InChI InChI=1S/C13H20O4S2/c1-10-5-7-11(8-6-10)19(16,17)13(18-2)12(15)4-3-9-14/h5-8,12-15H,3-4,9H2,1-2H3
InChIKey ZGRREWIHLZDXSZ-UHFFFAOYSA-N
Mol Weight 304.42 g/mol
Molecular Formula C13H20O4S2
Exact Mass 304.080301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWwBJxMZPsq
Name 5-(METHYLTHIO)-5-[(PARA-TOLYL)-SULFONYL]-1,4-PENTANEDIOL;MAJOR-DIASTEREOISOMER
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O4S2
InChI InChI=1S/C13H20O4S2/c1-10-5-7-11(8-6-10)19(16,17)13(18-2)12(15)4-3-9-14/h5-8,12-15H,3-4,9H2,1-2H3
InChIKey ZGRREWIHLZDXSZ-UHFFFAOYSA-N
Literature Reference Author J.K.GALLOS,C.C.DELLIOS
Literature Reference Citation J.HETCYCL.CHEM.,38,579(2001)
Literature Reference DOI 10.1002/jhet.5570380304
Molecular Weight 304.419 g/mol
Solvent CDCl3
Source File Reference UWLU21193