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6-(METHYLTHIO)-6-[(PARA-TOLYL)-SULFONYL]-1,5-HEXANEDIOL;MAJOR-DIASTEREOISOMER

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6-(METHYLTHIO)-6-[(PARA-TOLYL)-SULFONYL]-1,5-HEXANEDIOL;MAJOR-DIASTEREOISOMER
SpectraBase Compound ID C1tpJfJgWbV
InChI InChI=1S/C14H22O4S2/c1-11-6-8-12(9-7-11)20(17,18)14(19-2)13(16)5-3-4-10-15/h6-9,13-16H,3-5,10H2,1-2H3
InChIKey VLOUJSSZFKXAQW-UHFFFAOYSA-N
Mol Weight 318.45 g/mol
Molecular Formula C14H22O4S2
Exact Mass 318.095952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4x7Lv2HKD8v
Name 6-(METHYLTHIO)-6-[(PARA-TOLYL)-SULFONYL]-1,5-HEXANEDIOL;MINOR-DIASTEREOISOMER
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22O4S2
InChI InChI=1S/C14H22O4S2/c1-11-6-8-12(9-7-11)20(17,18)14(19-2)13(16)5-3-4-10-15/h6-9,13-16H,3-5,10H2,1-2H3
InChIKey VLOUJSSZFKXAQW-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 318.446 g/mol
Solvent CDCl3
Source File Reference UWLU21196