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HXCWUFFLBWQSSG-UHFFFAOYSA-N

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HXCWUFFLBWQSSG-UHFFFAOYSA-N
SpectraBase Compound ID IKWrmrIMN91
InChI InChI=1S/C13H18OS/c1-10-5-7-12(8-6-10)15-9-11(2)13(3,4)14/h5-8,14H,2,9H2,1,3-4H3
InChIKey HXCWUFFLBWQSSG-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mlrYEPwxXk
Name HXCWUFFLBWQSSG-UHFFFAOYSA-N
Compound Number 9C'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-10-5-7-12(8-6-10)15-9-11(2)13(3,4)14/h5-8,14H,2,9H2,1,3-4H3
InChIKey HXCWUFFLBWQSSG-UHFFFAOYSA-N
Literature Reference Author E.L.CLENNAN,X.CHEN
Literature Reference Citation J.AM.CHEM.SOC.,111,5787(1989)
Literature Reference DOI 10.1021/ja00197a044
Molecular Weight 222.345 g/mol
Solvent CDCl3
Source File Reference UWED10369