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2-Phenyl-5,5-dimethyl-1,3-dithiane

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2-Phenyl-5,5-dimethyl-1,3-dithiane
SpectraBase Compound ID AA4GxW2kUs4
InChI InChI=1S/C12H16S2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey RPFGDWRFGJKUCN-UHFFFAOYSA-N
Mol Weight 224.38 g/mol
Molecular Formula C12H16S2
Exact Mass 224.069343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGYNcxIscq1
Name 2-PHENYL-5,5-DIMETHYL-1,3-DITHIANE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16S2
InChI InChI=1S/C12H16S2/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey RPFGDWRFGJKUCN-UHFFFAOYSA-N
Literature Reference Author E.L.ELIEL,V.S.RAO,F.G.RIDDELL
Literature Reference Citation J.AM.CHEM.SOC.,98,3583(1976)
Literature Reference DOI 10.1021/ja00428a032
Molecular Weight 224.379 g/mol
Solvent CDCl3
Source File Reference UNIW16292