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3-CHLORO-3-(4'-METHYLTHIOPHENYL)-PENTANE

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3-CHLORO-3-(4'-METHYLTHIOPHENYL)-PENTANE
SpectraBase Compound ID HunQEIB8aTJ
InChI InChI=1S/C12H17ClS/c1-4-12(13,5-2)10-6-8-11(14-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKey TXECRVACLYUBEU-UHFFFAOYSA-N
Mol Weight 228.78 g/mol
Molecular Formula C12H17ClS
Exact Mass 228.073949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hZIQObWJ1d
Name 3-CHLORO-3-(4'-METHYLTHIOPHENYL)-PENTANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17ClS
InChI InChI=1S/C12H17ClS/c1-4-12(13,5-2)10-6-8-11(14-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKey TXECRVACLYUBEU-UHFFFAOYSA-N
Literature Reference Author J.J.GIANSIRACUSA,M.J.JENKINS,D.P.KELLY
Literature Reference Citation AUSTR.J.CHEM.,35,443(1982)
Literature Reference DOI 10.1071/ch9820443
Molecular Weight 228.780 g/mol
Solvent CDCl3
Source File Reference UWCS6928